Geometry & MOs

Info

ID:	189017
PubChem CID:	77803709
Reduced:	SN4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	480.215489
ΔH_f, kcal/mol:	141.99
Dipole, Da:	1.14
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(diaminomethylideneamino)-2-(1,2,3,4-tetrahydroquinolin-8-ylsulfonylamino)pentanoyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC=CC2=CC(=CC=C2)C3=NN(N=C3C4=CC=CC=C4)C

DOS

IR

Vibrations