Geometry & MOs

Info

ID:

334077

PubChem CID:

127252629

Reduced:

N5O7C37H43 (1)

Stoich.:

A5B7C37D43 (1)

Weight, g/mol:

653.177622

ΔHf, kcal/mol:

-196.99

Dipole, Da:

5.29

IP(EA), eV:

 -8.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethyl-5'-(2,4,5-trimethoxyphenyl)spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCN1C=NC2=CC=CC=C2C1=O)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations