Geometry & MOs

Info

ID:	33990
PubChem CID:	7889312
Reduced:	ON2S2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	306.013285
ΔH_f, kcal/mol:	28.68
Dipole, Da:	1.4
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations