Geometry & MOs

Info

ID:

419800

PubChem CID:

135109073

Reduced:

SN2O6C18H22 (1)

Stoich.:

AB2C6D18E22 (1)

Weight, g/mol:

689.335939

ΔHf, kcal/mol:

-170.68

Dipole, Da:

6.84

IP(EA), eV:

 -9.2(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[(4-methylphenyl)methyl]-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

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=C(O2)OC3=CC=CC=C3

DOS

IR

Vibrations