Geometry & MOs

Info

ID:	192463
PubChem CID:	78272013
Reduced:	ClSF2N2O3H15C17 (1)
Stoich.:	ABC2D2E3F15G17 (1)
Weight, g/mol:	501.192014
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	5.4
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-1,3-dimethyl-5-[2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C=C(NN2C(=O)CCl)C3=CC=CS3)OC(F)F

DOS

IR

Vibrations