Geometry & MOs

Info

ID:	193021
PubChem CID:	78337557
Reduced:	N4O7C23H24 (1)
Stoich.:	A4B7C23D24 (1)
Weight, g/mol:	387.071134
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	8.73
IP(EA), eV:	-8.53(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxy-4-prop-2-enoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-7aH-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC(=O)N2CCOCC2)OC)C=NN3C(=O)C4C=CC=CC4=NC3=O

DOS

IR

Vibrations