Geometry & MOs

Info

ID:	265014
PubChem CID:	103507118
Reduced:	O2S2N3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	4.4
IP(EA), eV:	-8.31(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C(=C(S1)NCC2CCOC2)SC)N

DOS

IR

Vibrations