Geometry & MOs

Info

ID:	366244
PubChem CID:	127319701
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-136.49
Dipole, Da:	5.57
IP(EA), eV:	-8.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=NN2C)OC)C)CCC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations