Geometry & MOs

Info

ID:	22375
PubChem CID:	597050
Reduced:	NSO2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	349.11365
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	4.94
IP(EA), eV:	-8.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenoxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(SC=C2C1)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations