Geometry & MOs

Info

ID:	273649
PubChem CID:	103771564
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	311.074678
ΔH_f, kcal/mol:	-116.36
Dipole, Da:	2.4
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NCC(CC(C)C)O)C

DOS

IR

Vibrations