Geometry & MOs

Info

ID:	149503
PubChem CID:	53789176
Reduced:	ClNSO4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	586.340673
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	6.36
IP(EA), eV:	-7.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[6-[5-(4-butoxyphenyl)pentoxy]pyridin-2-yl]ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(CO)(COS(=O)(=O)C)NCC1=C2C=CC=CC2=C(C3=CC4=CC=CC=C4C=C31)Cl

DOS

IR

Vibrations