Geometry & MOs

Info

ID:	172941
PubChem CID:	75574389
Reduced:	SN5O5H15C17 (1)
Stoich.:	AB5C5D15E17 (1)
Weight, g/mol:	432.120047
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	5.57
IP(EA), eV:	-9.35(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-chloro-5-[2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations