Geometry & MOs

Info

ID:	168529
PubChem CID:	74982901
Reduced:	F3N3O9H20C21 (1)
Stoich.:	A3B3C9D20E21 (1)
Weight, g/mol:	401.1223
ΔH_f, kcal/mol:	-439.93
Dipole, Da:	2.99
IP(EA), eV:	-9.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-[5-(4-carbamimidoylphenoxy)carbonylfuran-2-yl]-2-methylprop-2-enoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(O1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N[C@@H](CO)C(=O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations