Geometry & MOs

Info

ID:	138768
PubChem CID:	52423312
Reduced:	SO2N4C18H31 (1)
Stoich.:	AB2C4D18E31 (1)
Weight, g/mol:	366.208947
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	2.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.113269
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(carbamoylamino)-N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@@H](CNC(=O)[C@H](CCSC)NC(=O)N)C1=CC=CC=C1

DOS

IR

Vibrations