Geometry & MOs

Info

ID:	265002
PubChem CID:	103506979
Reduced:	OSN2C6H10 (2)
Stoich.:	ABC2D6E10 (2)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	5.89
IP(EA), eV:	-8.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-(methylcarbamoyl)-5-(4-methylpentylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(SC(=C1N)C#N)NCC(C)N(C)C

DOS

IR

Vibrations