Geometry & MOs

Info

ID:	158236
PubChem CID:	56463209
Reduced:	FO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	457.178376
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	6.33
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations