Geometry & MOs

Info

ID:	261574
PubChem CID:	103241106
Reduced:	BrNSO2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	274.96156
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	5.31
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(5-bromothiophen-2-yl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)CNCCCCC(=O)O

DOS

IR

Vibrations