Geometry & MOs

Info

ID:	433117
PubChem CID:	135173254
Reduced:	ClNOSC9H12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	515.26241
ΔH_f, kcal/mol:	-8.36
Dipole, Da:	4.96
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-iodo-4,5-dimethylhexan-2-yl)-5-[2-methyl-2-(3,3,4-trimethylpentoxy)propyl]aniline

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC=C(C=C1)CCl

DOS

IR

Vibrations