Geometry & MOs

Info

ID:	37195
PubChem CID:	8018201
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	343.218567
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	4.74
IP(EA), eV:	-8.51(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations