Geometry & MOs

Info

ID:	364982
PubChem CID:	127316632
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	3.57
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC(=NC=C3)OC4CCOCC4

DOS

IR

Vibrations