Geometry & MOs

Info

ID:	307433
PubChem CID:	125299933
Reduced:	N5O5H19C20 (1)
Stoich.:	A5B5C19D20 (1)
Weight, g/mol:	418.111791
ΔH_f, kcal/mol:	19.97
Dipole, Da:	7.12
IP(EA), eV:	-8.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NN=C(C2)C(=O)N/N=C\C3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations