Geometry & MOs

Info

ID:	410360
PubChem CID:	135083155
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	444.199547
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	0.65
IP(EA), eV:	-9.38(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,12R,13S)-12-(hydroxymethyl)-10-methoxy-2,5,8,11,15,18,21-heptaoxatricyclo[20.4.0.09,14]hexacosa-1(26),22,24-trien-13-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C/C=C/CON.C(=O)(C(=O)O)O

DOS

IR

Vibrations