Geometry & MOs

Info

ID:	68805
PubChem CID:	46509128
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	36.91
Dipole, Da:	4.45
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSC2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations