Geometry & MOs

Info

ID:	29936
PubChem CID:	838322
Reduced:	ClNSO5C14H18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-234.81
Dipole, Da:	1.94
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C(=C(S1)NC(=O)CCl)C(=O)OCC)C

DOS

IR

Vibrations