Geometry & MOs

Info

ID:	35642
PubChem CID:	7980130
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	3.08
IP(EA), eV:	-8.84(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=C2CC/C(=C\C3=CC=CO3)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations