Geometry & MOs

Info

ID:

164000

PubChem CID:

74381336

Reduced:

N3O10C31H45 (1)

Stoich.:

A3B10C31D45 (1)

Weight, g/mol:

631.310495

ΔHf, kcal/mol:

-407.8

Dipole, Da:

6.52

IP(EA), eV:

 -8.69(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethenyl N-(9-carbamoyloxy-13,22-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl)carbamate

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)OC)NC(=O)OC)C)OC)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations