Geometry & MOs

Info

ID:	194159
PubChem CID:	78492003
Reduced:	SO2N3C23H34 (1)
Stoich.:	AB2C3D23E34 (1)
Weight, g/mol:	418.216438
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	6.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137416
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-4-methoxy-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3)C

DOS

IR

Vibrations