Geometry & MOs

Info

ID:

421403

PubChem CID:

135115922

Reduced:

FO2N3C23H24 (1)

Stoich.:

AB2C3D23E24 (1)

Weight, g/mol:

774.363551

ΔHf, kcal/mol:

-64.92

Dipole, Da:

4.73

IP(EA), eV:

-9.11(-0.88)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(1-ethyl-5-methylpyrazole-4-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

CC1=CN2C(=NC(=C2F)C(=O)N3C[C@H]4CCC[C@@]([C@H]4C3)(C5=CC=CC=C5)O)C=C1

DOS

IR

Vibrations