Geometry & MOs

Info

ID:	151877
PubChem CID:	56310701
Reduced:	S2N3O4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	6.34
IP(EA), eV:	-8.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(S1)S(=O)(=O)NCC2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations