Geometry & MOs

Info

ID:	89773
PubChem CID:	49964436
Reduced:	SO2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	64.46
Dipole, Da:	4.06
IP(EA), eV:	-8.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-5-oxo-1-(2-phenylethyl)-2H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC2=C(N=C3N2NC=N3)C4=CC=C(C=C4)SC

DOS

IR

Vibrations