Geometry & MOs

Info

ID:	264076
PubChem CID:	103425601
Reduced:	OSN3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	5.62
IP(EA), eV:	-8.03(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-carbamoyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=C(S1)NCCC(C)C)C2CC2)N

DOS

IR

Vibrations