Geometry & MOs

Info

ID:	522
PubChem CID:	2924
Reduced:	NO5C31H43 (1)
Stoich.:	AB5C31D43 (1)
Weight, g/mol:	509.314123
ΔH_f, kcal/mol:	-224.16
Dipole, Da:	3.46
IP(EA), eV:	-9.33(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16-benzyl-5,12-dihydroxy-5,7,13,13,14-pentamethyl-18-oxo-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)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)(C)C)O

DOS

IR

Vibrations