Geometry & MOs

Info

ID:

324463

PubChem CID:

126677720

Reduced:

NC5H10 (2)

Stoich.:

AB5C10 (2)

Weight, g/mol:

734.425465

ΔHf, kcal/mol:

-5.05

Dipole, Da:

2.56

IP(EA), eV:

-8.66(1.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,2R,5R,7S,9S,10S,14R,19S)-4-[5-(4-aminophenyl)-1,2-dihydrotriazol-3-yl]-19-ethyl-14-methyl-7-[(2R,4R,5S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

Drug info:

PubChemData

Smile

CC1CCCN1C(=C)C(C)NC

DOS

IR

Vibrations