Geometry & MOs

Info

ID:	405080
PubChem CID:	135072496
Reduced:	BOI3N6H14C30 (1)
Stoich.:	ABC3D6E14F30 (1)
Weight, g/mol:	337.971725
ΔH_f, kcal/mol:	328.51
Dipole, Da:	16.4
IP(EA), eV:	-7.19(-3.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [2-[(2,6-dichloropyridin-4-yl)-methylamino]-2-oxoethyl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC(=CC5=C3N=C6N1C(=NC7=[N+]2C(=N4)C8=C7C=CC(=C8)I)C9=C6C=CC(=C9)I)I)OC1=CC=CC=C1

DOS

IR

Vibrations