Geometry & MOs

Info

ID:	146779
PubChem CID:	53748265
Reduced:	SO5C20H34 (1)
Stoich.:	AB5C20D34 (1)
Weight, g/mol:	610.11938
ΔH_f, kcal/mol:	-262.49
Dipole, Da:	2.62
IP(EA), eV:	-9.04(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-[4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-N-(3-butoxy-3-oxopropyl)anilino]propanoate

Drug info:

PubChemData

Smile

CCCCCC(CS[C@@H]1[C@H](C(=O)CC1O)CC=CCCCC(=O)OC)O

DOS

IR

Vibrations