Geometry & MOs

Info

ID:

40541

PubChem CID:

8144299

Reduced:

SO2N4C14H19 (1)

Stoich.:

AB2C4D14E19 (1)

Weight, g/mol:

302.174276

ΔHf, kcal/mol:

19.25

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807992

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=NN(C2=S)C[NH+]3CCOCC3

DOS

IR

Vibrations