Geometry & MOs

Info

ID:	41872
PubChem CID:	8147545
Reduced:	ClOS2N3H16C20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	384.203565
ΔH_f, kcal/mol:	54.51
Dipole, Da:	5.76
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CN([C@H](C2=C1SC=C2)C3=CC=CS3)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

DOS

IR

Vibrations