Geometry & MOs

Info

ID:	64512
PubChem CID:	29202738
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-102.07
Dipole, Da:	5.29
IP(EA), eV:	-9.03(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)NCCCOC

DOS

IR

Vibrations