Geometry & MOs

Info

ID:	173959
PubChem CID:	75705645
Reduced:	Cl2N3O5C23H29 (1)
Stoich.:	A2B3C5D23E29 (1)
Weight, g/mol:	441.085826
ΔH_f, kcal/mol:	-122.08
Dipole, Da:	5.33
IP(EA), eV:	-9.77(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-2-(2-chloro-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations