Geometry & MOs

Info

ID:

422851

PubChem CID:

135118513

Reduced:

NO7C17H19 (1)

Stoich.:

AB7C17D19 (1)

Weight, g/mol:

749.302925

ΔHf, kcal/mol:

-249.86

Dipole, Da:

5.03

IP(EA), eV:

 -9.07(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-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=CC(=C(C=C1)CC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations