Geometry & MOs

Info

ID:

416710

PubChem CID:

135090158

Reduced:

FN3O3C15H18 (1)

Stoich.:

AB3C3D15E18 (1)

Weight, g/mol:

769.373387

ΔHf, kcal/mol:

-163.37

Dipole, Da:

3.63

IP(EA), eV:

 -9.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-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(C(=O)NC1)NC(=O)CCNC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations