Geometry & MOs

Info

ID:

419475

PubChem CID:

135108258

Reduced:

ClFNO5H11C14 (1)

Stoich.:

ABCD5E11F14 (1)

Weight, g/mol:

678.294802

ΔHf, kcal/mol:

-210.28

Dipole, Da:

8.8

IP(EA), eV:

 -10.26(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-(1H-pyrrole-2-carbonyl)-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

C1[C@]2([C@@]1(CN(C2)C(=O)C3=C(C=CC=C3Cl)F)C(=O)O)C(=O)O

DOS

IR

Vibrations