Geometry & MOs

Info

ID:

167404

PubChem CID:

74820172

Reduced:

N2O7C37H42 (1)

Stoich.:

A2B7C37D42 (1)

Weight, g/mol:

618.330502

ΔHf, kcal/mol:

-196.66

Dipole, Da:

3.84

IP(EA), eV:

 -8.18(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-hydroxycyclohexyl)methyl]-2-[(19-hydroxy-4,5,24,24-tetramethyl-22-oxo-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-18-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CC1(C2C(=O)C=C3C(O2)(O1)CCC4(C3(C(CC5C4(C6=C(C5)C7=CC=CC=C7N6)C)OCC(=O)NCC(C8=CC=CC=C8)O)O)C)C

DOS

IR

Vibrations