Geometry & MOs

Info

ID:	68768
PubChem CID:	46509053
Reduced:	FN2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	439.102434
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	2.3
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations