Geometry & MOs

Info

ID:	46476
PubChem CID:	10524618
Reduced:	N5O5C18H27 (1)
Stoich.:	A5B5C18D27 (1)
Weight, g/mol:	393.021808
ΔH_f, kcal/mol:	-181.85
Dipole, Da:	6.22
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(trideuteriomethylsulfanyl)phenyl]sulfanylphenyl]sulfanylmethyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(/C(=N/NC(=O)NC1=CC=CC=C1)/C)NNC(=O)OC(C)(C)C

DOS

IR

Vibrations