Geometry & MOs

Info

ID:

423775

PubChem CID:

135120183

Reduced:

O3N6C20H26 (1)

Stoich.:

A3B6C20D26 (1)

Weight, g/mol:

707.346504

ΔHf, kcal/mol:

-44.34

Dipole, Da:

4.96

IP(EA), eV:

 -9.85(-1.05)

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-[(5-propylfuran-2-yl)methyl]-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

CC1=NN=NN1CC2=CC=C(C=C2)C(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)C(=O)O

DOS

IR

Vibrations