Geometry & MOs

Info

ID:	175138
PubChem CID:	75859819
Reduced:	SN3O3C18H30 (1)
Stoich.:	AB3C3D18E30 (1)
Weight, g/mol:	423.276001
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756251
Charge, e:	1

Chem-info

IUPAC name:

[1-cyclohexyl-2-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=CC(=CC=C1)S(=O)(=O)C)C2CCCCC2

DOS

IR

Vibrations