Geometry & MOs

Info

ID:	147035
PubChem CID:	53786061
Reduced:	SO3N4C8H8 (1)
Stoich.:	AB3C4D8E8 (1)
Weight, g/mol:	508.186391
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	4.42
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-aminoquinazolin-7-yl)methyl]-4-[(5-chloro-1H-indol-2-yl)methyl]-N-(2-hydroxyethyl)-2-oxopiperazin-1-ium-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(NN=C2C=C1)S(=O)(=O)NC(=O)N

DOS

IR

Vibrations