Geometry & MOs

Info

ID:	33628
PubChem CID:	7887277
Reduced:	OF2N2S2H14C17 (1)
Stoich.:	AB2C2D2E14F17 (1)
Weight, g/mol:	324.071468
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	1.89
IP(EA), eV:	-8.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)C3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations