Geometry & MOs

Info

ID:	151280
PubChem CID:	53790980
Reduced:	N2O3C27H48 (1)
Stoich.:	A2B3C27D48 (1)
Weight, g/mol:	551.234411
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	4.04
IP(EA), eV:	-8.28(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl-formylamino]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-4H-pyrimidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C(N(C(=C1)O)C2CC(N(C(C2)(C)C)C(=O)C)(C)C)O

DOS

IR

Vibrations