Geometry & MOs

Info

ID:	51673
PubChem CID:	12014383
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	409.167794
ΔH_f, kcal/mol:	-104.48
Dipole, Da:	4.77
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O)N2C(=O)C3C4CCC(C3C2=O)C=C4

DOS

IR

Vibrations