Geometry & MOs

Info

ID:	302089
PubChem CID:	124349480
Reduced:	ClSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	450.101621
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	8.39
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1CC(=O)N([C@@H]2[C@H]1CS(=O)(=O)C2)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations