Geometry & MOs

Info

ID:	194177
PubChem CID:	78494040
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	341.142722
ΔH_f, kcal/mol:	-167.82
Dipole, Da:	7.78
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-fluorobenzoate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)CSC2NC(CC(=O)N2)CC(=O)OC

DOS

IR

Vibrations