Geometry & MOs

Info

ID:	284449
PubChem CID:	104046578
Reduced:	NSO2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	301.01137
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	3.07
IP(EA), eV:	-8.55(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-4-fluoroanilino)-2-cyclopropylacetate

Drug info:

PubChemData

Smile

CCC(CC)(CNC(C1CC1)C(=O)OC)SC

DOS

IR

Vibrations