Geometry & MOs

Info

ID:	64511
PubChem CID:	29202654
Reduced:	ClSN2O4H18C21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-17.62
Dipole, Da:	23.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.882881
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-tert-butyl-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC=C3Cl

DOS

IR

Vibrations