Geometry & MOs

Info

ID:	244196
PubChem CID:	99319334
Reduced:	SF2N3O6C22H25 (1)
Stoich.:	AB2C3D6E22F25 (1)
Weight, g/mol:	412.100141
ΔH_f, kcal/mol:	-299.03
Dipole, Da:	8.53
IP(EA), eV:	-9.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-4-ethoxy-5-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCNC(=O)C1=C(C=C(C=C1)F)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations