Geometry & MOs

Info

ID:	28976
PubChem CID:	830937
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	2.16
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15R,19S)-17-hydroxy-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

CC1=CN=C(C=C1)NC(=O)C2=C(NC3=CC=CC=C3C2=O)O

DOS

IR

Vibrations