Geometry & MOs

Info

ID:	141859
PubChem CID:	52939985
Reduced:	ClN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	209.085938
ΔH_f, kcal/mol:	-106.98
Dipole, Da:	2.99
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-phenoxyacetyl)amino]methylboronic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(=O)NCCOCCOCCNC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations