Geometry & MOs

Info

ID:	237410
PubChem CID:	92719096
Reduced:	FN3O4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	4.37
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations