Geometry & MOs

Info

ID:	365068
PubChem CID:	127316782
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-181.15
Dipole, Da:	8.41
IP(EA), eV:	-9.06(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CC(=O)N(C3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations