Geometry & MOs

Info

ID:	39052
PubChem CID:	8138561
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	392.00974
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	3.39
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,3,6-trichlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations