Geometry & MOs

Info

ID:	60458
PubChem CID:	26697033
Reduced:	SN3O5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752679
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-N-(2-morpholin-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations