Geometry & MOs

Info

ID:	173941
PubChem CID:	75703310
Reduced:	ClN4O7H23C24 (1)
Stoich.:	AB4C7D23E24 (1)
Weight, g/mol:	514.125527
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	7.2
IP(EA), eV:	-9.67(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations