Geometry & MOs

Info

ID:	237926
PubChem CID:	92722729
Reduced:	SN4O5C19H28 (1)
Stoich.:	AB4C5D19E28 (1)
Weight, g/mol:	424.178041
ΔH_f, kcal/mol:	-205.04
Dipole, Da:	6.43
IP(EA), eV:	-9.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-ethylphenyl)methylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)CNC(=O)[C@]2(CN(CC(=O)N2C)S(=O)(=O)C)C

DOS

IR

Vibrations