Geometry & MOs

Info

ID:

186545

PubChem CID:

77443965

Reduced:

NO6C33H49 (1)

Stoich.:

AB6C33D49 (1)

Weight, g/mol:

715.336984

ΔHf, kcal/mol:

-286.69

Dipole, Da:

3.22

IP(EA), eV:

 -8.98(1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[22-(5-hexyl-4-methyl-1,3-oxazol-2-yl)-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC2C(C3CC4=C5CC6C(C5CCC34O2)CC=C7C6(CCC(C7)OC8CC(C(C(C8O)O)O)CO)C)NC1

DOS

IR

Vibrations