Geometry & MOs

Info

ID:	243754
PubChem CID:	99234618
Reduced:	FSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	436.110232
ΔH_f, kcal/mol:	-185.63
Dipole, Da:	1.84
IP(EA), eV:	-8.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorobenzoyl)amino]-N-[2-(2-cyano-3-fluoroanilino)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)C)NS(=O)(=O)C)F

DOS

IR

Vibrations