Geometry & MOs

Info

ID:	364674
PubChem CID:	127315969
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	9.99
IP(EA), eV:	-8.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoyl-3-piperidin-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC(=C2)NC(=O)CC3CCS(=O)(=O)C3)C(=O)N

DOS

IR

Vibrations