Geometry & MOs

Info

ID:	51674
PubChem CID:	12014384
Reduced:	NO3H23C27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	395.152144
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	3.64
IP(EA), eV:	-9.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[(1R)-2-hydroxy-1-phenylethyl]-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)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46

DOS

IR

Vibrations