Geometry & MOs

Info

ID:

334035

PubChem CID:

127252587

Reduced:

N4O7C41H60 (1)

Stoich.:

A4B7C41D60 (1)

Weight, g/mol:

611.155824

ΔHf, kcal/mol:

-261.82

Dipole, Da:

7.98

IP(EA), eV:

 -8.05(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6S,7R)-7'-chloro-4',6'-dimethoxy-4-[3-(2-methoxy-2-oxoethoxy)phenyl]-2,7-dimethyl-3',5-dioxospiro[1,4,7,8-tetrahydroquinoline-6,2'-1-benzofuran]-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N(CCCOC)C[C@@H]1CCCN2[C@@H]1CCCC2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations