Geometry & MOs

Info

ID:	400108
PubChem CID:	135045535
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	664.394833
ΔH_f, kcal/mol:	101.39
Dipole, Da:	5.43
IP(EA), eV:	-9.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,9S)-3-benzyl-13-nitro-4,7-dioxo-2-[2-oxo-2-(undecylamino)ethyl]-6-propan-2-yl-2,5,8-triazabicyclo[9.2.2]pentadeca-1(13),11,14-triene-9-carboxamide

Drug info:

PubChemData

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C1[C@@H](C=CC2=NC3=CC=CC=C3[C@]21CC#N)O

DOS

IR

Vibrations