Geometry & MOs

Info

ID:	281560
PubChem CID:	103914045
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	3.08
IP(EA), eV:	-9.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(heptylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCS(=O)(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations