Geometry & MOs

Info

ID:	138769
PubChem CID:	52423313
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	367.216772
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	5.72
IP(EA), eV:	-8.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-1-phenylethyl]-diethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations