Geometry & MOs

Info

ID:	247188
PubChem CID:	103068560
Reduced:	NO2S2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	313.117021
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	8.13
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-methylsulfonylphenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations