Geometry & MOs

Info

ID:	60469
PubChem CID:	26697049
Reduced:	FN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	465.153384
ΔH_f, kcal/mol:	-133.41
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752322
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations