Geometry & MOs

Info

ID:	7694
PubChem CID:	73749
Reduced:	ClN5O7C22H24 (1)
Stoich.:	AB5C7D22E24 (1)
Weight, g/mol:	505.136426
ΔH_f, kcal/mol:	-158.48
Dipole, Da:	13.18
IP(EA), eV:	-8.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations