Geometry & MOs

Info

ID:

419463

PubChem CID:

135108244

Reduced:

N3O3C18H25 (1)

Stoich.:

A3B3C18D25 (1)

Weight, g/mol:

755.291274

ΔHf, kcal/mol:

-84.7

Dipole, Da:

4.08

IP(EA), eV:

 -9.59(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[2-(2,4-difluorophenoxy)acetyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

COCC1(CCC1)C(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations