Geometry & MOs

Info

ID:	368808
PubChem CID:	127330226
Reduced:	NS2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	2.57
IP(EA), eV:	-8.48(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1-benzothiophen-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations