Geometry & MOs

Info

ID:	237931
PubChem CID:	92722847
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	498.14924
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	4.93
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-7-[[4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)C1=CC=C(C=C1)CN2CC(=O)N3CSC[C@@H]3C2=O

DOS

IR

Vibrations