Geometry & MOs

Info

ID:

189787

PubChem CID:

77904011

Reduced:

PN2O8C29H37 (1)

Stoich.:

AB2C8D29E37 (1)

Weight, g/mol:

492.225181

ΔHf, kcal/mol:

-379.03

Dipole, Da:

9.35

IP(EA), eV:

 -9.49(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-(2-aminocyclopentyl)ethylcarbamoyl]-2-chlorophenyl]-2-methoxy-7-oxo-2,3,4,4a,5,6,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1CCCN1C(=O)CP(=O)(C(CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations