Geometry & MOs

Info

ID:	218446
PubChem CID:	85089458
Reduced:	ClNSO8H18C20 (1)
Stoich.:	ABCD8E18F20 (1)
Weight, g/mol:	467.145928
ΔH_f, kcal/mol:	-242.58
Dipole, Da:	7.59
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triethyl 4-amino-4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]buta-1,3-diene-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(C2C3=C(C=CC(=C3)Cl)ON=C2C(=O)OC)C(=O)OC

DOS

IR

Vibrations