Geometry & MOs

Info

ID:

224087

PubChem CID:

85338019

Reduced:

Cl2O3N5C29H37 (1)

Stoich.:

A2B3C5D29E37 (1)

Weight, g/mol:

580.287255

ΔHf, kcal/mol:

-58.89

Dipole, Da:

9.85

IP(EA), eV:

 -8.3(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[2-[[1-[(2,4-dimethylphenyl)methylamino]-3-hydroxypentan-2-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CN(CC(=NOC)C(CCN1CCC(CC1)N2CCCNC2=O)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations