Geometry & MOs

Info

ID:	438089
PubChem CID:	135227660
Reduced:	NSO5C8H9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	320.143725
ΔH_f, kcal/mol:	-180.8
Dipole, Da:	6.08
IP(EA), eV:	-10.38(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-amino-2-(2-aminophenyl)-N'-(2-fluorophenyl)benzenecarboximidamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(NC(=O)C=C1)C(=O)O

DOS

IR

Vibrations