Geometry & MOs

Info

ID:	302091
PubChem CID:	124349484
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	452.097284
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	3.52
IP(EA), eV:	-9.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NCC3=C(C(=CC=C3)OC)OC)C(=O)N[C@H](C)COC

DOS

IR

Vibrations