Simeprevir

Molecule SVG Image

Properties Simple | Detailed

Formula C38H47N5O7S2
IUPAC Name simeprevir
Molecular Mass 749.939 g·mol−1
Heat of Formation -821.1 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 870.26 Å 3
Surface Area 668.63 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey JTZZSQYMACOLNN-VDWJNHBNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N