Geometry & MOs

Info

ID:	30277
PubChem CID:	841077
Reduced:	BrOSN3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	321.049336
ΔH_f, kcal/mol:	58.29
Dipole, Da:	5.61
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=NNC(=O)C1=CN=CC=C1)C2=CC=C(S2)Br

DOS

IR

Vibrations