Geometry & MOs

Info

ID:	68473
PubChem CID:	46508490
Reduced:	BrSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	469.148298
ΔH_f, kcal/mol:	-130.56
Dipole, Da:	2.69
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)phenyl]-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations