Geometry & MOs

Info

ID:	38047
PubChem CID:	8026622
Reduced:	N2S2O3C20H26 (1)
Stoich.:	A2B2C3D20E26 (1)
Weight, g/mol:	419.092923
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	6.79
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,6-dichloroanilino)-2-oxoethyl]-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations