Geometry & MOs

Info

ID:	376510
PubChem CID:	134222527
Reduced:	N6O6C27H28 (1)
Stoich.:	A6B6C27D28 (1)
Weight, g/mol:	778.560836
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	14.82
IP(EA), eV:	-8.56(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl] 6-O-octadecyl 2,5-diethyl-2,5-dimethylhexanedioate

Drug info:

PubChemData

Smile

CCN(CCOC(=O)C(=O)C)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2C)N=NC3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations