Geometry & MOs

Info

ID:

414358

PubChem CID:

135087314

Reduced:

O5N6C26H32 (1)

Stoich.:

A5B6C26D32 (1)

Weight, g/mol:

777.334225

ΔHf, kcal/mol:

-169.13

Dipole, Da:

4.73

IP(EA), eV:

 -8.45(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-15-(4-methylbenzoyl)-10-(2-methylsulfanylethyl)-19-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)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=C(OC=N2)C)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations