Geometry & MOs

Info

ID:	151875
PubChem CID:	56310698
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	420.01359
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	5.94
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations