Geometry & MOs

Info

ID:	170816
PubChem CID:	75283536
Reduced:	NSO7C30H33 (1)
Stoich.:	ABC7D30E33 (1)
Weight, g/mol:	352.166117
ΔH_f, kcal/mol:	-244.55
Dipole, Da:	4.64
IP(EA), eV:	-8.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,4-dioxo-3-propyl-4aH-quinazolin-1-ium-1-yl)-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3C(=CC=C2)C(CO3)NC4=CC5=C(C=C4)C(CO5)CC(=O)O)C)OCCCS(=O)(=O)C

DOS

IR

Vibrations