Geometry & MOs

Info

ID:	302110
PubChem CID:	124349565
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	390.107185
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	5.29
IP(EA), eV:	-9.39(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aS)-4-(3-methylphenyl)-6,6-dioxo-1-(2-thiophen-2-ylethyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CC4=CC=CO4

DOS

IR

Vibrations