Geometry & MOs

Info

ID:	33329
PubChem CID:	7885983
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	3.73
IP(EA), eV:	-8.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)OC

DOS

IR

Vibrations