Geometry & MOs

Info

ID:	130114
PubChem CID:	51074957
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	4.89
IP(EA), eV:	-9.09(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NCC2=NN=C3N2CCC3

DOS

IR

Vibrations