Geometry & MOs

Info

ID:	20511
PubChem CID:	584378
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	7.97
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]-2-sulfanyl-4,5-dihydropyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCN2CCC(=O)N=C2S)OC(C)C

DOS

IR

Vibrations