Geometry & MOs

Info

ID:	33617
PubChem CID:	7887225
Reduced:	FNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	5.81
IP(EA), eV:	-9.1(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations