Geometry & MOs

Info

ID:	402871
PubChem CID:	135057608
Reduced:	NSO4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	295.016684
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	5.84
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dichloro-4-pyridin-2-ylbenzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C3=C2C=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations