Geometry & MOs

Info

ID:	424161
PubChem CID:	135121561
Reduced:	NSO3H17C23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	398.094582
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	3.62
IP(EA), eV:	-9.01(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[(3-chloro-4-fluorophenyl)carbamoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC(=O)C3=CC(=NC=C3C2=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations