Geometry & MOs

Info

ID:	33323
PubChem CID:	7885970
Reduced:	N2O2S2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	338.075885
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	3.68
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)S[C@H]3CCCCC3=O)CC=C)C

DOS

IR

Vibrations