Geometry & MOs

Info

ID:	83448
PubChem CID:	49857604
Reduced:	FS2N4O4C24H33 (1)
Stoich.:	AB2C4D4E24F33 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-207.42
Dipole, Da:	6.7
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[(2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carbonyl)amino]cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCN(CCC(=O)OC(C)(C)C)CC(=O)N1CCCC1C2=CC(=C(S2)C)C(=O)NC3=NC=C(S3)F

DOS

IR

Vibrations