Geometry & MOs

Info

ID:

435059

PubChem CID:

135179234

Reduced:

O4N5C35H48 (2)

Stoich.:

A4B5C35D48 (2)

Weight, g/mol:

460.236208

ΔHf, kcal/mol:

-319.9

Dipole, Da:

8.48

IP(EA), eV:

 -9.19(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-(6,8,8-trimethyl-2-oxo-3-pyridin-4-ylpyrano[3,2-g]quinolin-9-yl)butanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NCCCCCCNC(=O)[C@H](C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)NC

DOS

IR

Vibrations