Geometry & MOs

Info

ID:	28436
PubChem CID:	827587
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	54.48
Dipole, Da:	4.41
IP(EA), eV:	-8.19(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C2C(=C3C=CC=CC3=N2)C=C(N1)C(=O)NN

DOS

IR

Vibrations