Geometry & MOs

Info

ID:	139732
PubChem CID:	52586012
Reduced:	O2S2N3H21C23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	26.14
Dipole, Da:	5.67
IP(EA), eV:	-8.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=NC(=CS3)C4=CC=CC=C4OC

DOS

IR

Vibrations