Geometry & MOs

Info

ID:	27626
PubChem CID:	822683
Reduced:	SCl2N3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	184.067034
ΔH_f, kcal/mol:	81.92
Dipole, Da:	4.07
IP(EA), eV:	-8.58(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4,6-dimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations