Geometry & MOs

Info

ID:

162260

PubChem CID:

57394093

Reduced:

NO7H27C32 (1)

Stoich.:

AB7C27D32 (1)

Weight, g/mol:

643.335647

ΔHf, kcal/mol:

-168.19

Dipole, Da:

4.97

IP(EA), eV:

 -8.78(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R,4S,5R,6S,8R,12R,13S,16R,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)C3=CC(=C(C=C3)OC)C4=CC(=CC=C4)OC)OC5=CC=CC(=C5)OC

DOS

IR

Vibrations