Geometry & MOs

Info

ID:	10787
PubChem CID:	107939
Reduced:	NO6C18H25 (1)
Stoich.:	AB6C18D25 (1)
Weight, g/mol:	351.168188
ΔH_f, kcal/mol:	-204.59
Dipole, Da:	8.74
IP(EA), eV:	-9.21(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Drug info:

PubChemData

Smile

CC=C1C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C

DOS

IR

Vibrations