Geometry & MOs

Info

ID:	61026
PubChem CID:	26704518
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	470.094569
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	8.29
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations