Geometry & MOs

Info

ID:	80766
PubChem CID:	49836664
Reduced:	N2O2C5H8 (1)
Stoich.:	A2B2C5D8 (1)
Weight, g/mol:	729.13283
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	3.27
IP(EA), eV:	-9.53(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,7S,9S)-16-(benzenesulfonyl)-9-bromo-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Drug info:

PubChemData

Smile

C1C[C@@H](NN=C1)C(=O)O

DOS

IR

Vibrations