Geometry & MOs

Info

ID:	49821
PubChem CID:	11533916
Reduced:	IO2F3N3H15C22 (1)
Stoich.:	AB2C3D3E15F22 (1)
Weight, g/mol:	536.12294
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	7.33
IP(EA), eV:	-8.69(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)I

DOS

IR

Vibrations