Geometry & MOs

Info

ID:

186953

PubChem CID:

77508161

Reduced:

N3O5C29H41 (1)

Stoich.:

A3B5C29D41 (1)

Weight, g/mol:

596.237031

ΔHf, kcal/mol:

-190.09

Dipole, Da:

1.07

IP(EA), eV:

 -8.82(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-(3-fluoro-2-hydroxy-6-oxopiperidin-1-yl)-4-oxo-4-[2-pyridin-4-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1CN(C2C1OCC2=O)C(=O)C(CC(C)C)NC(=O)C3=CC=C(C=C3)C4CCN(CC4)C5CC5

DOS

IR

Vibrations