Geometry & MOs

Info

ID:

443179

PubChem CID:

135257983

Reduced:

Cl3O3N7H14C22 (1)

Stoich.:

A3B3C7D14E22 (1)

Weight, g/mol:

538.253983

ΔHf, kcal/mol:

6.5

Dipole, Da:

9.77

IP(EA), eV:

 -9.3(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-6-(2-cyanoprop-2-enoylamino)-1-[(4-methylphenyl)methylamino]-1-oxohexan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(C(=CN=C21)C(=O)NC3=CC(=C(C=C3)Cl)CN4C=NC5=C(C(=CN=C54)C(=O)O)Cl)Cl

DOS

IR

Vibrations