Geometry & MOs

Info

ID:	132495
PubChem CID:	51370307
Reduced:	ClSN2O3F4H23C32 (1)
Stoich.:	ABC2D3E4F23G32 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-214.89
Dipole, Da:	2.03
IP(EA), eV:	-8.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C/C(=C\C2=CC=C(C=C2)OC(F)F)/C3=C(C1)C(N4C(=O)/C(=C\C5=CC=C(C=C5)Cl)/SC4=N3)C6=CC=C(C=C6)OC(F)F

DOS

IR

Vibrations