Geometry & MOs

Info

ID:

417348

PubChem CID:

135092519

Reduced:

O2N5C17H23 (1)

Stoich.:

A2B5C17D23 (1)

Weight, g/mol:

638.299888

ΔHf, kcal/mol:

1.08

Dipole, Da:

7.06

IP(EA), eV:

 -8.51(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-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=CC2(CCN(CC2)CC3=NC(=O)C4=CNN(C4=N3)C)OCC1

DOS

IR

Vibrations