Geometry & MOs

Info

ID:	80345
PubChem CID:	49834097
Reduced:	BSN4O6H13C14 (1)
Stoich.:	ABC4D6E13F14 (1)
Weight, g/mol:	465.112564
ΔH_f, kcal/mol:	-207.11
Dipole, Da:	12.85
IP(EA), eV:	-9.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-[[(2Z)-2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-2-boronoethyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)O

DOS

IR

Vibrations