Geometry & MOs

Info

ID:	224479
PubChem CID:	85343718
Reduced:	N5F6O6C26H27 (1)
Stoich.:	A5B6C6D26E27 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-517.54
Dipole, Da:	10.77
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(benzylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CC2=C[NH2+]C=N2)C(=O)NCC3=CC=CC=C3)[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations