Geometry & MOs

Info

ID:

215074

PubChem CID:

85084106

Reduced:

N3O4F6C36H37 (1)

Stoich.:

A3B4C6D36E37 (1)

Weight, g/mol:

689.269692

ΔHf, kcal/mol:

-444.65

Dipole, Da:

3.64

IP(EA), eV:

 -9.39(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11,19-dimethyl-2,8,14,23-tetraoxo-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaen-21-yl) N-(4-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N(CC2N1C(=O)C(CN2C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCCC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations