Geometry & MOs

Info

ID:	195588
PubChem CID:	78705053
Reduced:	BrO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	331.088316
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966401
Charge, e:	1

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)ethenesulfonamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)[NH2+]C(C2=CC=CC=C2)C(=O)NC(=O)NC

DOS

IR

Vibrations