Geometry & MOs

Info

ID:	43836
PubChem CID:	10321863
Reduced:	NF4O5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	457.127385
ΔH_f, kcal/mol:	-391.1
Dipole, Da:	5.87
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[5-(1-benzofuran-2-yl)-1,3-benzoxazol-2-yl]-2-methoxyphenyl]carbamoylamino]acetic acid

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OC(C)C(=O)NCC2=CC(=CC(=C2)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations