Geometry & MOs

Info

ID:

414350

PubChem CID:

135087306

Reduced:

O4N5C26H35 (1)

Stoich.:

A4B5C26D35 (1)

Weight, g/mol:

690.294802

ΔHf, kcal/mol:

-69.21

Dipole, Da:

5.72

IP(EA), eV:

 -8.78(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-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

COC1=C2C=C(C=C1)C(=O)N3CCC4(CCN(CC4)C(=O)CCCC5=CN(CCCO2)N=N5)CC3

DOS

IR

Vibrations