Geometry & MOs

Info

ID:	34003
PubChem CID:	7889358
Reduced:	OSN2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	310.055818
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	2.42
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-3-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations