Geometry & MOs

Info

ID:	302100
PubChem CID:	124349522
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	428.176979
ΔH_f, kcal/mol:	-112.96
Dipole, Da:	2.2
IP(EA), eV:	-9.14(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CC4=CC=CO4

DOS

IR

Vibrations