Geometry & MOs

Info

ID:

414448

PubChem CID:

135087406

Reduced:

ON2C19H24 (1)

Stoich.:

AB2C19D24 (1)

Weight, g/mol:

764.367967

ΔHf, kcal/mol:

-28.74

Dipole, Da:

2.34

IP(EA), eV:

 -8.18(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(4-hydroxycyclohexanecarbonyl)-4-(1H-indol-3-ylmethyl)-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

CC1=CC(=NC2=CC=CC=C12)N3CCC[C@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations