Geometry & MOs

Info

ID:

418260

PubChem CID:

135104023

Reduced:

O2N3C20H27 (1)

Stoich.:

A2B3C20D27 (1)

Weight, g/mol:

764.350209

ΔHf, kcal/mol:

-56.75

Dipole, Da:

4.91

IP(EA), eV:

 -9.27(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-15-[(5-methylpyridin-2-yl)methyl]-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

CC(C)N(C)CC(=O)N[C@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations