Geometry & MOs

Info

ID:	343073
PubChem CID:	127266246
Reduced:	NSO2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	6.1
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethyl-2,6-dimethylpiperazin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N=S(=O)(C)C

DOS

IR

Vibrations