Geometry & MOs

Info

ID:	29359
PubChem CID:	833334
Reduced:	IN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	343.062677
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	2.15
IP(EA), eV:	-9.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-acetylphenyl)carbamothioyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NNC(=O)OC)I

DOS

IR

Vibrations