Geometry & MOs

Info

ID:	38749
PubChem CID:	8137864
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	405.137179
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	5.16
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations