Geometry & MOs

Info

ID:

415119

PubChem CID:

135088105

Reduced:

ON2C8H12 (2)

Stoich.:

AB2C8D12 (2)

Weight, g/mol:

758.33225

ΔHf, kcal/mol:

-59.46

Dipole, Da:

4.56

IP(EA), eV:

-8.62(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(6-aminopyridine-2-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

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CCC(=O)O

DOS

IR

Vibrations