Geometry & MOs

Info

ID:	129605
PubChem CID:	51073259
Reduced:	OSN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	307.017827
ΔH_f, kcal/mol:	60.77
Dipole, Da:	1.86
IP(EA), eV:	-9.1(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2,4-dichloro-5-fluorobenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NC2=CC=CC3=C2C=CC=N3

DOS

IR

Vibrations