Geometry & MOs

Info

ID:	36269
PubChem CID:	7983973
Reduced:	SN3O4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	346.076513
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	3.25
IP(EA), eV:	-9.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations