1-Cyano-2-[4-(1H-Imidazol-4-Yl)Butyl]-3-[2-(Phenylsulfanyl)Ethyl]Guanidine

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Properties Simple | Detailed

Formula C17H22N6S
IUPAC Name 1-cyano-2-[4-(1h-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine
Molecular Mass 342.462 g·mol−1
Heat of Formation 391.6 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 434.05 Å 3
Surface Area 332.72 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey DHHDEHNHEBYRPQ-UHFFFAOYSA-N
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Elements H S C N