Geometry & MOs

Info

ID:	183268
PubChem CID:	77000151
Reduced:	BrClNSO2H13C15 (1)
Stoich.:	ABCDE2F13G15 (1)
Weight, g/mol:	368.98344
ΔH_f, kcal/mol:	-22.15
Dipole, Da:	5.76
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC(=CS1)Br)C2=C(C(=CC=C2)Cl)C=CC(=O)O

DOS

IR

Vibrations