Geometry & MOs

Info

ID:	177869
PubChem CID:	76246510
Reduced:	F2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	2.41
IP(EA), eV:	-9.34(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[1-(4-methylsulfonylphenyl)ethylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1C(F)F)OC(=O)C=CC3=CC=C(C=C3)C(=O)NC4CC4

DOS

IR

Vibrations