Geometry & MOs

Info

ID:	287893
PubChem CID:	104297777
Reduced:	BrNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	338.99286
ΔH_f, kcal/mol:	-58.26
Dipole, Da:	5.14
IP(EA), eV:	-8.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(4-bromo-3-methylphenyl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)Br)C)N

DOS

IR

Vibrations