Geometry & MOs

Info

ID:	170857
PubChem CID:	75286968
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	430.116973
ΔH_f, kcal/mol:	42.73
Dipole, Da:	2.28
IP(EA), eV:	-9.25(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-chloro-2-[[2-(2,4-dioxo-3-propyl-4aH-quinazolin-1-ium-1-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=NC(=CC2=NC1=S)C

DOS

IR

Vibrations