Geometry & MOs

Info

ID:	33591
PubChem CID:	7887099
Reduced:	ClFOS2N3H13C16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-29.47
Dipole, Da:	3.93
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)F)C

DOS

IR

Vibrations