Geometry & MOs

Info

ID:

415276

PubChem CID:

135088268

Reduced:

FN3O5C17H18 (1)

Stoich.:

AB3C5D17E18 (1)

Weight, g/mol:

740.404353

ΔHf, kcal/mol:

-169.73

Dipole, Da:

7.47

IP(EA), eV:

 -9.22(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(2,2-dimethyl-3-morpholin-4-ylpropyl)-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

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCC(=O)N3CCCC3)C(=O)O)F

DOS

IR

Vibrations