Geometry & MOs

Info

ID:

221717

PubChem CID:

85286071

Reduced:

N3O7C35H37 (1)

Stoich.:

A3B7C35D37 (1)

Weight, g/mol:

611.284966

ΔHf, kcal/mol:

-184.03

Dipole, Da:

2.19

IP(EA), eV:

 -8.67(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14-pentaoxo-4-propan-2-yl-20-thia-3,6,9,12,15,22-hexazatricyclo[14.5.2.019,22]tricosan-13-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)CCC=C)O

DOS

IR

Vibrations