Geometry & MOs

Info

ID:	77471
PubChem CID:	49640649
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	5.19
IP(EA), eV:	-8.19(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CCNC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations