Geometry & MOs

Info

ID:

214573

PubChem CID:

85083215

Reduced:

NO4F5C29H30 (1)

Stoich.:

AB4C5D29E30 (1)

Weight, g/mol:

551.215532

ΔHf, kcal/mol:

-357.48

Dipole, Da:

6.37

IP(EA), eV:

 -9.35(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-benzyl-2,3-dihydroxybutanedioate

Drug info:

PubChemData

Smile

CC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(C(C(F)(F)F)(F)F)O)C4C2=C5CCC(=O)C=C5CC4)C

DOS

IR

Vibrations