Geometry & MOs

Info

ID:	199311
PubChem CID:	79228713
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	251.170771
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	6.17
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NCCSC1=CC=CC=C1

DOS

IR

Vibrations