Geometry & MOs

Info

ID:	262518
PubChem CID:	103297947
Reduced:	FN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	342.96779
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	2.22
IP(EA), eV:	-8.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)methyl 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCCCN2CCCC2)N

DOS

IR

Vibrations