Geometry & MOs

Info

ID:	285536
PubChem CID:	104110493
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	285.095413
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	4.44
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)NC(C)CC(C)Cl

DOS

IR

Vibrations