Geometry & MOs

Info

ID:	194774
PubChem CID:	78588306
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-180.38
Dipole, Da:	3.63
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propylamino)ethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NCC(C)C

DOS

IR

Vibrations