Geometry & MOs

Info

ID:

416097

PubChem CID:

135089105

Reduced:

SN6O6C38H50 (1)

Stoich.:

AB6C6D38E50 (1)

Weight, g/mol:

717.330853

ΔHf, kcal/mol:

-199.99

Dipole, Da:

9.4

IP(EA), eV:

 -8.94(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[2-(4-methylphenyl)acetyl]-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

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations