Geometry & MOs

Info

ID:	521
PubChem CID:	2923
Reduced:	NO7C30H39 (1)
Stoich.:	AB7C30D39 (1)
Weight, g/mol:	525.272653
ΔH_f, kcal/mol:	-290.25
Dipole, Da:	4.45
IP(EA), eV:	-9.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate

Drug info:

PubChemData

Smile

CC1CC=CC2C(C(C(C3C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)(C)O)O

DOS

IR

Vibrations