Geometry & MOs

Info

ID:	189088
PubChem CID:	77815503
Reduced:	FSN3O7C25H34 (1)
Stoich.:	ABC3D7E25F34 (1)
Weight, g/mol:	452.168225
ΔH_f, kcal/mol:	-302.0
Dipole, Da:	9.3
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-3-[2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)(C4CC=C(C=C4)F)O

DOS

IR

Vibrations