Geometry & MOs

Info

ID:	35903
PubChem CID:	7980471
Reduced:	ClNO5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	4.25
IP(EA), eV:	-9.96(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations