Geometry & MOs

Info

ID:

415889

PubChem CID:

135088891

Reduced:

O3N4C18H24 (1)

Stoich.:

A3B4C18D24 (1)

Weight, g/mol:

764.367967

ΔHf, kcal/mol:

-61.3

Dipole, Da:

3.16

IP(EA), eV:

 -8.68(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-15-[1-(methoxymethyl)cyclobutanecarbonyl]-6,10,12-trimethyl-19-(2-methylpropyl)-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

CN(C)CCN(CC1=CN=CN1)C(=O)CCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations