Geometry & MOs

Info

ID:	368826
PubChem CID:	127330629
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	1.44
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1-benzothiophen-3-ylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations