Geometry & MOs

Info

ID:	173956
PubChem CID:	75705642
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	441.085826
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	5.93
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CC=C1)N(CC2=CC=CO2)C(=O)CCl

DOS

IR

Vibrations