Geometry & MOs

Info

ID:

417973

PubChem CID:

135103200

Reduced:

N2O2C19H24 (1)

Stoich.:

A2B2C19D24 (1)

Weight, g/mol:

781.337001

ΔHf, kcal/mol:

-39.71

Dipole, Da:

3.69

IP(EA), eV:

-8.89(-0.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(1H-indole-3-carbonyl)-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

C1[C@H]([C@H](CN1CCCOC2=CC=CC=C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations