Geometry & MOs

Info

ID:	60465
PubChem CID:	26697044
Reduced:	N3O6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	418.180053
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	6.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753807
Charge, e:	1

Chem-info

IUPAC name:

4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)OC

DOS

IR

Vibrations