Geometry & MOs

Info

ID:	173979
PubChem CID:	75707700
Reduced:	SN2O5C29H40 (1)
Stoich.:	AB2C5D29E40 (1)
Weight, g/mol:	479.255084
ΔH_f, kcal/mol:	-206.06
Dipole, Da:	6.86
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(2-chloro-5-nitrophenyl)-2-oxoethyl]-N-hexylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC(=CC=C1)O)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3CCCCC3

DOS

IR

Vibrations