Geometry & MOs

Info

ID:	60485
PubChem CID:	26697079
Reduced:	SN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	425.122084
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	9.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753496
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations