Geometry & MOs

Info

ID:	187949
PubChem CID:	77646542
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	553.367971
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	3.12
IP(EA), eV:	-8.64(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-fluoro-3-(2-oxopyrrolidin-1-yl)-5-propylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC(C(CC2=CC=CC=C2)N)O

DOS

IR

Vibrations