Geometry & MOs

Info

ID:	59537
PubChem CID:	24875266
Reduced:	FN3O5C30H30 (1)
Stoich.:	AB3C5D30E30 (1)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-175.12
Dipole, Da:	7.33
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-[(1H-imidazol-2-ylamino)methyl]furan-3-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)F)C)C(=O)NC(CC2=CC=C(C=C2)C3=CC=C(O3)CNC4=NC=CC(=C4)OC)C(=O)O

DOS

IR

Vibrations