Geometry & MOs

Info

ID:	189051
PubChem CID:	77809960
Reduced:	SO3N4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	360.146537
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	7.85
IP(EA), eV:	-8.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamimidoyl-3-cyclopropyl-N-quinolin-6-ylpyrazolidine-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SN=C2CN3C4=C(C=CC(=C4)N)N(C3=O)C(CC(=O)O)C5=CC=CC=C5)C

DOS

IR

Vibrations