Geometry & MOs

Info

ID:

181037

PubChem CID:

76715549

Reduced:

S2N5O6C41H45 (1)

Stoich.:

A2B5C6D41E45 (1)

Weight, g/mol:

555.274464

ΔHf, kcal/mol:

-107.08

Dipole, Da:

3.57

IP(EA), eV:

 -8.55(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 14-amino-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=CC=CC=C6N=C5C7=CC=CS7)NC8=CC=CC=C8

DOS

IR

Vibrations