Geometry & MOs

Info

ID:	265056
PubChem CID:	103508547
Reduced:	NOSC7H10 (2)
Stoich.:	ABCD7E10 (2)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-48.08
Dipole, Da:	4.85
IP(EA), eV:	-8.27(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-carbamoyl-5-[[2-(dimethylamino)-2-methylpropyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(S1)NC(C2CC2)C3CC3)SC)N

DOS

IR

Vibrations