Geometry & MOs

Info

ID:

420691

PubChem CID:

135114671

Reduced:

ClN3O3C17H22 (1)

Stoich.:

AB3C3D17E22 (1)

Weight, g/mol:

745.271624

ΔHf, kcal/mol:

-125.46

Dipole, Da:

3.23

IP(EA), eV:

 -9.56(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-15-(1-benzothiophene-3-carbonyl)-19-benzyl-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

C1CC(CCC1N)NC(=O)[C@@H]2[C@H](NC(=O)CO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations