Geometry & MOs

Info

ID:	195920
PubChem CID:	78748991
Reduced:	ClFSN2O3H16C19 (1)
Stoich.:	ABCD2E3F16G19 (1)
Weight, g/mol:	375.103749
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	2.49
IP(EA), eV:	-9.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations