Geometry & MOs

Info

ID:	49585
PubChem CID:	11533313
Reduced:	N2O4H11C12 (2)
Stoich.:	A2B4C11D12 (2)
Weight, g/mol:	494.071862
ΔH_f, kcal/mol:	-192.42
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)O)/C=C(/C(=O)NCCNC(=O)/C(=C/C2=CC(=C(C(=C2)OC)O)O)/C#N)\C#N

DOS

IR

Vibrations