Geometry & MOs

Info

ID:	55644
PubChem CID:	17395717
Reduced:	ClS2O3N4C17H21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	3.87
IP(EA), eV:	-8.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1H-quinazolin-2-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2Cl

DOS

IR

Vibrations