Geometry & MOs

Info

ID:

32143

PubChem CID:

4266376

Reduced:

N3O9C45H61 (1)

Stoich.:

A3B9C45D61 (1)

Weight, g/mol:

731.391243

ΔHf, kcal/mol:

-311.24

Dipole, Da:

4.57

IP(EA), eV:

 -8.65(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloroethyl N-[4-[2-(aziridin-1-yl)ethoxy]-15,16-bis(4-hydroxybutyl)-12-[(2-methylpropan-2-yl)oxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)ON=C1CC(C2(C3C1=CC(C(C3C4=C(O2)C=CC(=C4)OC(=O)NCC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCCC=C

DOS

IR

Vibrations