Geometry & MOs

Info

ID:	153840
PubChem CID:	56313160
Reduced:	NSF2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	4.38
IP(EA), eV:	-9.27(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-imidazol-1-ylpropanoylamino)-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)SCC(=O)NCC(C)(C)C2=CC=CC=C2F)F

DOS

IR

Vibrations