Geometry & MOs

Info

ID:	172736
PubChem CID:	75545512
Reduced:	SN4O4C28H36 (1)
Stoich.:	AB4C4D28E36 (1)
Weight, g/mol:	489.193808
ΔH_f, kcal/mol:	-166.33
Dipole, Da:	4.3
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]phenyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C3CCCCC3C(=O)N(C2=O)CCCCC(=O)NCC4=CC=CS4

DOS

IR

Vibrations