Geometry & MOs

Info

ID:	134953
PubChem CID:	51789439
Reduced:	ClSN2O2C23H27 (1)
Stoich.:	ABC2D2E23F27 (1)
Weight, g/mol:	460.195127
ΔH_f, kcal/mol:	-58.36
Dipole, Da:	7.65
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(1R)-2-oxo-1-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC=CC=C2)N(C3=CC=CC=C3Cl)C(=O)CCS

DOS

IR

Vibrations