Geometry & MOs

Info

ID:	403778
PubChem CID:	135061793
Reduced:	SN3O4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	8.49
IP(EA), eV:	-8.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(E)-3-azido-3-oxoprop-1-enyl]-1-benzyl-2-methylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C3=NC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations