Geometry & MOs

Info

ID:	249201
PubChem CID:	103087681
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	295.142842
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	7.17
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfanyl-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NCCCCSC)C(=O)O

DOS

IR

Vibrations