Geometry & MOs

Info

ID:

47164

PubChem CID:

10530127

Reduced:

SN3O6C26H43 (1)

Stoich.:

AB3C6D26E43 (1)

Weight, g/mol:

525.127833

ΔHf, kcal/mol:

-303.13

Dipole, Da:

1.88

IP(EA), eV:

 -9.17(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzoyl]-methylamino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C(=O)[C@H](CCS(=O)(=O)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

DOS

IR

Vibrations