Geometry & MOs

Info

ID:	131602
PubChem CID:	51234204
Reduced:	ON2S2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	2.6
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SC(C)C(=O)NC1=CC=CC=C1C(C)C

DOS

IR

Vibrations