Geometry & MOs

Info

ID:	383094
PubChem CID:	134974629
Reduced:	IO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	657.293782
ΔH_f, kcal/mol:	-88.98
Dipole, Da:	2.85
IP(EA), eV:	-9.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

31-methyl-38-phenyl-2,5,8,11,18,21,24,27-octaoxa-31-azapentacyclo[26.12.0.012,17.030,39.032,37]tetraconta-1(28),12,14,16,29,32,34,36,39-nonaen-38-ol

Drug info:

PubChemData

Smile

C1C/C=C\C[C@@H]([C@H](OC(=O)C1)/C=C/C=C\I)O

DOS

IR

Vibrations