Geometry & MOs

Info

ID:	234560
PubChem CID:	92298696
Reduced:	ClSN3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	97.31
Dipole, Da:	2.18
IP(EA), eV:	-8.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6R)-3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1[C@@H](NN=C1C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations