Geometry & MOs

Info

ID:

188689

PubChem CID:

77754156

Reduced:

N3O6C23H27 (1)

Stoich.:

A3B6C23D27 (1)

Weight, g/mol:

569.244976

ΔHf, kcal/mol:

-171.92

Dipole, Da:

5.39

IP(EA), eV:

 -8.98(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[[1-(4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]carbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC=C(C=C2)N3CC(OC3=O)COC4=NOC=C4

DOS

IR

Vibrations