Geometry & MOs

Info

ID:	131461
PubChem CID:	51209417
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	383.105211
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	4.69
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC

DOS

IR

Vibrations