Geometry & MOs

Info

ID:	120971
PubChem CID:	50751958
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-170.15
Dipole, Da:	5.71
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations