Geometry & MOs

Info

ID:	237673
PubChem CID:	92720560
Reduced:	S2N4O4C21H26 (1)
Stoich.:	A2B4C4D21E26 (1)
Weight, g/mol:	231.1987
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	5.63
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-cyclohexylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N[C@H](C)C3=CC=CC=C3OC

DOS

IR

Vibrations