Geometry & MOs

Info

ID:

417748

PubChem CID:

135102638

Reduced:

SO2N5C19H25 (1)

Stoich.:

AB2C5D19E25 (1)

Weight, g/mol:

775.347566

ΔHf, kcal/mol:

-29.52

Dipole, Da:

4.7

IP(EA), eV:

-8.53(-0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(2-ethyl-4-methyl-1,3-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

C1COC2(CCN(CC2)C3=NC(=NC(=C3)N)N4CCOCC4)C5=C1C=CS5

DOS

IR

Vibrations