Geometry & MOs

Info

ID:	379183
PubChem CID:	134356487
Reduced:	F2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	498.187875
ΔH_f, kcal/mol:	-213.43
Dipole, Da:	3.23
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)N[C@@H](CCCCN)C(=O)COC2=C(C=CC=C2F)F

DOS

IR

Vibrations