Geometry & MOs

Info

ID:	30642
PubChem CID:	841612
Reduced:	BrOSN3C9H12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	5.36
Dipole, Da:	5.73
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2CCSCC2)Br

DOS

IR

Vibrations