Geometry & MOs

Info

ID:

422135

PubChem CID:

135117269

Reduced:

NO5C19H23 (1)

Stoich.:

AB5C19D23 (1)

Weight, g/mol:

773.331916

ΔHf, kcal/mol:

-181.72

Dipole, Da:

6.83

IP(EA), eV:

-8.62(-0.55)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(3-cyclopropyl-1,2-oxazole-5-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

COC1=CC2=C(C=C1)C=CC(=C2CN3CC[C@@H]([C@@H](C3)O)C(=O)O)OC

DOS

IR

Vibrations