Geometry & MOs

Info

ID:	33310
PubChem CID:	7885895
Reduced:	S2O3N4C19H24 (1)
Stoich.:	A2B3C4D19E24 (1)
Weight, g/mol:	381.118084
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	5.29
IP(EA), eV:	-8.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C(=O)C)CC=C)C

DOS

IR

Vibrations