Geometry & MOs

Info

ID:

189785

PubChem CID:

77903985

Reduced:

FON2C12H13 (2)

Stoich.:

ABC2D12E13 (2)

Weight, g/mol:

549.144882

ΔHf, kcal/mol:

-95.04

Dipole, Da:

5.79

IP(EA), eV:

 -8.42(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[2-(2-hydroxyphenyl)ethylcarbamoyl]phenyl]-2-methylsulfonyl-7-oxo-2,3,4,4a,5,6,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CNCC(O1)N)C2=C(C=CC(=C2)NC3=C4C(=CC(=C3)F)C=C(C=N4)OCC5CC5)F

DOS

IR

Vibrations