Geometry & MOs

Info

ID:	34004
PubChem CID:	7889359
Reduced:	OSN2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	1.21
IP(EA), eV:	-9.04(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC(=O)N)SC1=NC=NC2=C1C=CS2

DOS

IR

Vibrations