Geometry & MOs

Info

ID:	54112
PubChem CID:	14720219
Reduced:	ClN2O7H13C15 (1)
Stoich.:	AB2C7D13E15 (1)
Weight, g/mol:	358.041271
ΔH_f, kcal/mol:	-200.43
Dipole, Da:	5.89
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trihydroxy-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCNC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O)Cl

DOS

IR

Vibrations