Geometry & MOs

Info

ID:	193633
PubChem CID:	78415961
Reduced:	O2S3N5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	386.151609
ΔH_f, kcal/mol:	6.45
Dipole, Da:	2.52
IP(EA), eV:	-9.16(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxo-4aH-quinazolin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C3C4=C(CCCC4)SC3=N2

DOS

IR

Vibrations