Geometry & MOs

Info

ID:	184934
PubChem CID:	77232206
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	541.122039
ΔH_f, kcal/mol:	27.26
Dipole, Da:	5.67
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(2-amino-2-sulfanylethyl)amino]-2-oxoethyl]-2-[[(2S)-2-(3-chlorophenyl)-2-(methanesulfonamido)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2)[C@@H](N)S

DOS

IR

Vibrations