Geometry & MOs

Info

ID:	380797
PubChem CID:	134971359
Reduced:	OYN2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	556.415916
ΔH_f, kcal/mol:	147.3
Dipole, Da:	4.78
IP(EA), eV:	-5.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,7R,9R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2,9,10-trimethyl-3-propan-2-yloxy-7-tri(propan-2-yl)silyloxyundec-10-en-5-one

Drug info:

PubChemData

Smile

CC1(C=C(C(N1[O])(C)C)[C-]=NC2=CC=CC=[C-]2)C.[Y]

DOS

IR

Vibrations