Geometry & MOs

Info

ID:	273315
PubChem CID:	103770891
Reduced:	NCl2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	2.44
IP(EA), eV:	-9.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)/C=C/C1=C(C=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations