Geometry & MOs

Info

ID:	68186
PubChem CID:	46507926
Reduced:	OSN3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	436.13584
ΔH_f, kcal/mol:	46.29
Dipole, Da:	9.59
IP(EA), eV:	-8.71(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CCC1=NC(=O)C2=C(N1)C3=C(S2)N=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations