Geometry & MOs

Info

ID:	302088
PubChem CID:	124349474
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	386.106706
ΔH_f, kcal/mol:	-152.53
Dipole, Da:	3.95
IP(EA), eV:	-9.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1CC(=O)N([C@H]2[C@H]1CS(=O)(=O)C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations