Geometry & MOs

Info

ID:	55631
PubChem CID:	17395695
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	2.4
IP(EA), eV:	-9.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[2-(5-methylfuran-2-carbonyl)oxyacetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

DOS

IR

Vibrations