Geometry & MOs

Info

ID:	120952
PubChem CID:	50751696
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	3.7
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations