Geometry & MOs

Info

ID:	35371
PubChem CID:	7979777
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-59.41
Dipole, Da:	2.96
IP(EA), eV:	-8.69(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations