Geometry & MOs

Info

ID:	177810
PubChem CID:	76233978
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	391.099063
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	5.49
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-4aH-quinazolin-2-yl)ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=NNC(=O)COC(=O)CC3=CSC(=N3)C4=CC=CS4)C2)C)C

DOS

IR

Vibrations