Geometry & MOs

Info

ID:	303628
PubChem CID:	124489976
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	512.350175
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	2.9
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,6aS,6aS,6bR,8aS,10R,12aR,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)NC2=CC=CC=C2)O

DOS

IR

Vibrations