Geometry & MOs

Info

ID:

417456

PubChem CID:

135094685

Reduced:

SN2O5C17H24 (1)

Stoich.:

AB2C5D17E24 (1)

Weight, g/mol:

708.305367

ΔHf, kcal/mol:

-195.44

Dipole, Da:

6.26

IP(EA), eV:

 -9.56(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(5-ethyl-1,3-oxazole-4-carbonyl)-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

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations