Geometry & MOs

Info

ID:	277525
PubChem CID:	103829205
Reduced:	BrNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	499.04529
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	2.9
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-2-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]acetic acid

Drug info:

PubChemData

Smile

CN(C(C1=C(C=CS1)Br)C(=O)O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations