Geometry & MOs

Info

ID:

175946

PubChem CID:

75971124

Reduced:

O3H24C26 (2)

Stoich.:

A3B24C26 (2)

Weight, g/mol:

568.398856

ΔHf, kcal/mol:

-80.29

Dipole, Da:

8.62

IP(EA), eV:

 -9.24(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-N-(5-methoxy-2-adamantyl)-2-propan-2-ylhexanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC=CC2=CC(=CC=C2)C=CC(=O)O)OCC3=CC=CC=C3.CC1=C(C(=CC=C1)C=CCC2=CC(=CC=C2)C=CC(=O)O)OCC3=CC=CC=C3

DOS

IR

Vibrations