Geometry & MOs

Info

ID:	59535
PubChem CID:	24875262
Reduced:	ON3C14H18 (2)
Stoich.:	AB3C14D18 (2)
Weight, g/mol:	540.217284
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	6.55
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-[(1H-benzimidazol-2-ylamino)methyl]furan-2-yl]phenyl]-2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(C)(C)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)C4=CCC(CC4)(C)C

DOS

IR

Vibrations