Geometry & MOs

Info

ID:	401279
PubChem CID:	135050775
Reduced:	NSO9C17H17 (1)
Stoich.:	ABC9D17E17 (1)
Weight, g/mol:	302.033683
ΔH_f, kcal/mol:	-235.51
Dipole, Da:	10.14
IP(EA), eV:	-9.2(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(Z)-[cyano-[3-(trifluoromethyl)phenyl]methylidene]amino]sulfanylacetate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C23C(=C(N(S2)OC3=O)C(=O)OC)C(=O)OC)OC)OC

DOS

IR

Vibrations