Geometry & MOs

Info

ID:	149901
PubChem CID:	53789583
Reduced:	SN3F5O5H14C18 (1)
Stoich.:	AB3C5D5E14F18 (1)
Weight, g/mol:	262.025753
ΔH_f, kcal/mol:	-353.64
Dipole, Da:	3.68
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(5-chloropyridin-2-yl)-N-(2,2-dicyanoethenyl)carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CN=C1CS(=O)C2=NC3=CC4=C(C=C3N2)OC(CO4)(F)F)OCC(F)(F)F

DOS

IR

Vibrations