Geometry & MOs

Info

ID:	137434
PubChem CID:	52208464
Reduced:	ClSN3O3H12C14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	8.35
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C2[C@@H](SCC(=O)N=C2NN1)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations