Geometry & MOs

Info

ID:	33773
PubChem CID:	7888042
Reduced:	S2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	5.78
IP(EA), eV:	-8.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations