Geometry & MOs

Info

ID:	314210
PubChem CID:	126620927
Reduced:	N3O3C17H35 (1)
Stoich.:	A3B3C17D35 (1)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	-200.46
Dipole, Da:	1.78
IP(EA), eV:	-9.16(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2,3,6-trimethyl-5-propan-2-ylbenzenethiol

Drug info:

PubChemData

Smile

CCCCNCCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations