Geometry & MOs

Info

ID:	188607
PubChem CID:	77740892
Reduced:	S2O3N4C25H28 (1)
Stoich.:	A2B3C4D25E28 (1)
Weight, g/mol:	537.181232
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	3.56
IP(EA), eV:	-8.45(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-(3-fluorobenzotriazol-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC2C3=C(CCO2)C=C(C=C3)S(=O)(=O)N)C4=CSC5=C4C=CC(=C5)C#N

DOS

IR

Vibrations