Geometry & MOs

Info

ID:

379166

PubChem CID:

134355524

Reduced:

O10N13C36H69 (1)

Stoich.:

A10B13C36D69 (1)

Weight, g/mol:

435.176736

ΔHf, kcal/mol:

-488.49

Dipole, Da:

10.76

IP(EA), eV:

 -9.15(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(2-hydroxy-3,3-dimethyl-1,2-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,5,7-triazaspiro[3.4]octane-6,8-dione

Drug info:

PubChemData

Smile

CCCC(=O)NC(CCN)C(=O)NCC(=O)NC(CCN)C(=O)NCC(=O)NC(CC(C)N(C)C(CCN)C(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NCC)C=O

DOS

IR

Vibrations