Geometry & MOs

Info

ID:

219099

PubChem CID:

85090519

Reduced:

SN4O4H30C31 (1)

Stoich.:

AB4C4D30E31 (1)

Weight, g/mol:

554.210298

ΔHf, kcal/mol:

-70.54

Dipole, Da:

12.54

IP(EA), eV:

 -9.26(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl) 3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(C1CC3=CC=CC=C3)CN(C4=NC=CS4)C(=O)CNC(=O)NC5=CC=CC(=C5)C(=O)O

DOS

IR

Vibrations