Geometry & MOs

Info

ID:	235678
PubChem CID:	92710402
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-141.88
Dipole, Da:	9.22
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations