Geometry & MOs

Info

ID:	173764
PubChem CID:	75679642
Reduced:	ON5C19H28 (1)
Stoich.:	AB5C19D28 (1)
Weight, g/mol:	371.154172
ΔH_f, kcal/mol:	21.97
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.981383
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1-(4-methylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2=CN=C(N=C2C)N(C)C)[NH+](C)C

DOS

IR

Vibrations