Geometry & MOs

Info

ID:	173940
PubChem CID:	75703309
Reduced:	N4O8C25H26 (1)
Stoich.:	A4B8C25D26 (1)
Weight, g/mol:	514.125527
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	4.44
IP(EA), eV:	-9.18(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)OC)N(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations