Geometry & MOs

Info

ID:

420193

PubChem CID:

135111759

Reduced:

NO4C20H29 (1)

Stoich.:

AB4C20D29 (1)

Weight, g/mol:

743.321351

ΔHf, kcal/mol:

-161.76

Dipole, Da:

3.37

IP(EA), eV:

-8.57(0.29)

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)-15-(pyridine-2-carbonyl)-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(C(=CC=C1)OCCN2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O)C

DOS

IR

Vibrations