Geometry & MOs

Info

ID:	308540
PubChem CID:	125333442
Reduced:	Cl2N2O2H8C11 (1)
Stoich.:	A2B2C2D8E11 (1)
Weight, g/mol:	465.191128
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	2.32
IP(EA), eV:	-9.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(4-fluorophenyl)methylamino]-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

C1C(=C(N=N1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations