Geometry & MOs

Info

ID:	183267
PubChem CID:	77000150
Reduced:	BrClO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	384.95389
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	7.21
IP(EA), eV:	-9.43(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-chlorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=C(C=CC(=C2)Br)C=CC(=O)O)Cl

DOS

IR

Vibrations