Geometry & MOs

Info

ID:	170222
PubChem CID:	75208935
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	15.58
Dipole, Da:	9.06
IP(EA), eV:	-8.82(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C(=CC3=CC=CC=C3)N4C(=NN=N4)C

DOS

IR

Vibrations