Geometry & MOs

Info

ID:	265015
PubChem CID:	103507120
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	4.45
IP(EA), eV:	-8.29(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyl-4-amino-2-(oxolan-3-ylmethylamino)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(S1)NCC2CCOC2)N

DOS

IR

Vibrations