Geometry & MOs

Info

ID:	11260
PubChem CID:	112617
Reduced:	ClSN2O7C38H57 (1)
Stoich.:	ABC2D7E38F57 (1)
Weight, g/mol:	720.357501
ΔH_f, kcal/mol:	-362.94
Dipole, Da:	5.51
IP(EA), eV:	-8.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-chloro-5-[(4,4-dimethyl-3-oxopentanoyl)amino]anilino]butanoyloxy]-2-pentadecylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C(CC)NC2=C(C=CC(=C2)NC(=O)CC(=O)C(C)(C)C)Cl)S(=O)(=O)O

DOS

IR

Vibrations