Geometry & MOs

Info

ID:	49242
PubChem CID:	11532236
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	440.115441
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	8.55
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=N)C2=CC=C(C=C2)C(=O)OCCOC3=C(C=CC(=C3)C(=N)N)OCCN

DOS

IR

Vibrations