Geometry & MOs

Info

ID:	235677
PubChem CID:	92710399
Reduced:	S3N4O4C16H18 (1)
Stoich.:	A3B4C4D16E18 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	7.31
IP(EA), eV:	-9.21(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(3,4-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)S(=O)(=O)N(C)C)S[C@@H](C1=O)CC(=O)NC3=NC=CS3

DOS

IR

Vibrations