Geometry & MOs

Info

ID:	62343
PubChem CID:	26719387
Reduced:	SN3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	377.085914
ΔH_f, kcal/mol:	-88.06
Dipole, Da:	4.29
IP(EA), eV:	-9.45(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-2-nitro-N-(3-nitrophenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

DOS

IR

Vibrations