Geometry & MOs

Info

ID:

297914

PubChem CID:

117636454

Reduced:

N9O16C28H47 (1)

Stoich.:

A9B16C28D47 (1)

Weight, g/mol:

480.190989

ΔHf, kcal/mol:

-721.16

Dipole, Da:

4.6

IP(EA), eV:

 -10.26(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-indazol-1-ylethanone

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)C

DOS

IR

Vibrations