Geometry & MOs

Info

ID:

416666

PubChem CID:

135089994

Reduced:

NOC7H9 (3)

Stoich.:

ABC7D9 (3)

Weight, g/mol:

765.363216

ΔHf, kcal/mol:

-107.03

Dipole, Da:

7.9

IP(EA), eV:

 -9.54(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-15-[(3S)-4-methylmorpholine-3-carbonyl]-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=CC2(CCN(CC2)C(=O)C3CC(=O)N(C3)CC4=CC=NC=C4)OCC1

DOS

IR

Vibrations