Geometry & MOs

Info

ID:

335112

PubChem CID:

127253918

Reduced:

N2O5H22C23 (1)

Stoich.:

A2B5C22D23 (1)

Weight, g/mol:

620.156158

ΔHf, kcal/mol:

-138.15

Dipole, Da:

2.99

IP(EA), eV:

 -8.48(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations