Geometry & MOs

Info

ID:

419226

PubChem CID:

135107769

Reduced:

ClO2N4C17H21 (1)

Stoich.:

AB2C4D17E21 (1)

Weight, g/mol:

742.326102

ΔHf, kcal/mol:

23.11

Dipole, Da:

3.82

IP(EA), eV:

-8.93(-0.89)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-benzoyl-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=C(N2C=C(C=CC2=N1)Cl)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations