Geometry & MOs

Info

ID:	36260
PubChem CID:	7982848
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-175.54
Dipole, Da:	6.21
IP(EA), eV:	-8.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)NCC(C)C

DOS

IR

Vibrations