Geometry & MOs

Info

ID:

414260

PubChem CID:

135087216

Reduced:

ON2C11H14 (2)

Stoich.:

AB2C11D14 (2)

Weight, g/mol:

761.331916

ΔHf, kcal/mol:

-24.22

Dipole, Da:

5.49

IP(EA), eV:

-7.96(0.35)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-15-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-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

COCCN1C=CN=C1CN2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations