Geometry & MOs

Info

ID:	173969
PubChem CID:	75706527
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	483.273321
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	5.53
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-4-nitro-N-[1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)hept-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC(=CC=C1)OC)N(CC2=CC=CO2)C(=O)COC

DOS

IR

Vibrations