Geometry & MOs

Info

ID:

423504

PubChem CID:

135119623

Reduced:

SN3O5C17H21 (1)

Stoich.:

AB3C5D17E21 (1)

Weight, g/mol:

679.315203

ΔHf, kcal/mol:

-162.8

Dipole, Da:

4.53

IP(EA), eV:

 -8.82(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[(5-methylfuran-2-yl)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]1CN(C[C@H]1O)C2=NC3=CC=CC=C3C(=C2)C(=O)O

DOS

IR

Vibrations