Geometry & MOs

Info

ID:	37838
PubChem CID:	8025015
Reduced:	SN2O4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	365.138043
ΔH_f, kcal/mol:	-103.08
Dipole, Da:	8.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.027668
Charge, e:	1

Chem-info

IUPAC name:

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations