Geometry & MOs

Info

ID:

44863

PubChem CID:

10506221

Reduced:

SN5O6C25H25 (1)

Stoich.:

AB5C6D25E25 (1)

Weight, g/mol:

523.239496

ΔHf, kcal/mol:

-128.57

Dipole, Da:

3.03

IP(EA), eV:

 -9.26(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-N-[3-[4-(2-cyanophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations