Geometry & MOs

Info

ID:	240222
PubChem CID:	93576677
Reduced:	OSN3C26H29 (1)
Stoich.:	ABC3D26E29 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	26.73
Dipole, Da:	2.53
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)C2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=CS4

DOS

IR

Vibrations