Geometry & MOs

Info

ID:	83630
PubChem CID:	49859368
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	548.09066
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	2.67
IP(EA), eV:	-9.06(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl (1S,9R,15S)-14-(2-bromoethylcarbamoyl)-8-methyl-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2,4,6,10,12-pentaene-10,11,15-tricarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](COC2=CC=CC=C2C1=CCC(=O)OC)OC

DOS

IR

Vibrations