Geometry & MOs

Info

ID:	60483
PubChem CID:	26697074
Reduced:	SN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	368.164402
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	5.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.777380
Charge, e:	1

Chem-info

IUPAC name:

N-(2-morpholin-4-ium-4-ylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations