Geometry & MOs

Info

ID:	175110
PubChem CID:	75856388
Reduced:	N3O6H21C23 (1)
Stoich.:	A3B6C21D23 (1)
Weight, g/mol:	358.133771
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	7.95
IP(EA), eV:	-8.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)COC(=O)C2C3=CC=CC=C3C(=O)N=N2)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations