Geometry & MOs

Info

ID:	35932
PubChem CID:	7980515
Reduced:	NO2F4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	402.103814
ΔH_f, kcal/mol:	-247.14
Dipole, Da:	4.8
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)COC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations