Geometry & MOs

Info

ID:	244175
PubChem CID:	99319192
Reduced:	F3N3O3C21H22 (1)
Stoich.:	A3B3C3D21E22 (1)
Weight, g/mol:	440.137005
ΔH_f, kcal/mol:	-234.83
Dipole, Da:	2.84
IP(EA), eV:	-9.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-benzhydrylsulfanylacetyl)amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCNC(=O)C1=C(C=C(C=C1)F)F)NC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations