Geometry & MOs

Info

ID:

423978

PubChem CID:

135120924

Reduced:

O4N7C29H39 (1)

Stoich.:

A4B7C29D39 (1)

Weight, g/mol:

619.300599

ΔHf, kcal/mol:

-1.25

Dipole, Da:

10.32

IP(EA), eV:

 -8.07(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-4-acetyl-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=CN=C(C=C4)N(C)C

DOS

IR

Vibrations