Geometry & MOs

Info

ID:	347264
PubChem CID:	127272058
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	0.78
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)NCC3CCC=CC3

DOS

IR

Vibrations