Geometry & MOs

Info

ID:	56463
PubChem CID:	17435727
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	348.104482
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	2.96
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations