Geometry & MOs

Info

ID:	380540
PubChem CID:	134971021
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	6.18
IP(EA), eV:	-9.18(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations