Geometry & MOs

Info

ID:	73846
PubChem CID:	48420688
Reduced:	ClSN2O3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	13.44
Dipole, Da:	3.12
IP(EA), eV:	-9.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=C(S2)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations