Geometry & MOs

Info

ID:

414478

PubChem CID:

135087436

Reduced:

O2N4C12H15 (2)

Stoich.:

A2B4C12D15 (2)

Weight, g/mol:

674.342798

ΔHf, kcal/mol:

-74.67

Dipole, Da:

5.77

IP(EA), eV:

 -9.36(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-13-(5-phenyl-1,2-oxazole-4-carbonyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)C4=CN=CN4

DOS

IR

Vibrations