Geometry & MOs

Info

ID:	173958
PubChem CID:	75705644
Reduced:	Cl2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	497.148426
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	9.93
IP(EA), eV:	-9.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-2-(2-chloro-5-nitrophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N(CC3=CC=CO3)C(=O)CCl

DOS

IR

Vibrations