Geometry & MOs

Info

ID:	302102
PubChem CID:	124349530
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-148.7
Dipole, Da:	5.82
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aS)-6,6-dioxo-1-(2-phenylethyl)-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=CC5=C(C=C4)OCO5

DOS

IR

Vibrations