Geometry & MOs

Info

ID:	189345
PubChem CID:	77843566
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	376.065984
ΔH_f, kcal/mol:	30.34
Dipole, Da:	9.36
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4C=CC(=O)N=N4

DOS

IR

Vibrations