Geometry & MOs

Info

ID:	205991
PubChem CID:	80187366
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	3.41
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-N-methyl-5-nitroaniline

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(N=C3N2C=CC=C3)NC)C

DOS

IR

Vibrations