Geometry & MOs

Info

ID:	64671
PubChem CID:	29203833
Reduced:	SN3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	387.107519
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	9.89
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations