Geometry & MOs

Info

ID:	157628
PubChem CID:	56436178
Reduced:	SO2N6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	41.0
Dipole, Da:	3.68
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCCCC4=NC(=NO4)C

DOS

IR

Vibrations