Geometry & MOs

Info

ID:	206836
PubChem CID:	80307303
Reduced:	SO2N3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	2.57
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-1-(1,3-thiazol-2-ylmethyl)pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)N)CC3=NC=CS3

DOS

IR

Vibrations