Geometry & MOs

Info

ID:	136664
PubChem CID:	52082351
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	8.26
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)-N-[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2C3=C(C(=O)N2C)N(N=C3C4=CC=CC=C4)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations