Geometry & MOs

Info

ID:	449053
PubChem CID:	135295578
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	396.223535
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	3.1
IP(EA), eV:	-8.44(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbazol-9-yl-3-[(4,4-dimethylcyclohexyl)-methylsulfanylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1(CO1)C(C)(C)N2CCCS2=O

DOS

IR

Vibrations