Geometry & MOs

Info

ID:	188679
PubChem CID:	77753094
Reduced:	ClFO3N6H32C34 (1)
Stoich.:	ABC3D6E32F34 (1)
Weight, g/mol:	427.189592
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	8.9
IP(EA), eV:	-8.38(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-amino-2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C=C1C=C(C=C2C1=NC(=C3C(=CC=NC3=O)N(CC(C4=CC(=CC=C4)Cl)O)C5=CC=CC=C5)N2)N6CCC(CC6)NC(=O)CF

DOS

IR

Vibrations