Geometry & MOs

Info

ID:	33301
PubChem CID:	7885878
Reduced:	ClNSO2F3C19H23 (1)
Stoich.:	ABCD2E3F19G23 (1)
Weight, g/mol:	413.123169
ΔH_f, kcal/mol:	-253.28
Dipole, Da:	4.9
IP(EA), eV:	-10.03(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations