Geometry & MOs

Info

ID:	362966
PubChem CID:	127309984
Reduced:	N2S2O3C18H24 (1)
Stoich.:	A2B2C3D18E24 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	3.88
IP(EA), eV:	-8.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)C(C)N3CCOCC3

DOS

IR

Vibrations