Geometry & MOs

Info

ID:

187157

PubChem CID:

77536733

Reduced:

O2N3C26H35 (1)

Stoich.:

A2B3C26D35 (1)

Weight, g/mol:

570.295454

ΔHf, kcal/mol:

-33.81

Dipole, Da:

9.17

IP(EA), eV:

 -8.94(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)CC2CCC3C2(CCC4C3CCC5C4(C=CC(=O)N5)C)C

DOS

IR

Vibrations