Geometry & MOs

Info

ID:	302084
PubChem CID:	124349458
Reduced:	S2N3O6C21H25 (1)
Stoich.:	A2B3C6D21E25 (1)
Weight, g/mol:	434.106706
ΔH_f, kcal/mol:	-184.37
Dipole, Da:	4.44
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-1-[2-(4-chlorophenyl)ethyl]-4-(3-methoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations