Geometry & MOs

Info

ID:	64429
PubChem CID:	29200537
Reduced:	FNOSH14C17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	360.060235
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	4.95
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations