Geometry & MOs

Info

ID:

188685

PubChem CID:

77753944

Reduced:

NCl3O3C17H18 (1)

Stoich.:

AB3C3D17E18 (1)

Weight, g/mol:

661.227881

ΔHf, kcal/mol:

-140.14

Dipole, Da:

3.74

IP(EA), eV:

 -9.28(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[1-[4-(2-cyano-4-fluorophenyl)cyclohexyl]pyrrolidin-3-yl]carbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C(CC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)(Cl)Cl)N.Cl

DOS

IR

Vibrations