Geometry & MOs

Info

ID:	307406
PubChem CID:	125299810
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	349.084475
ΔH_f, kcal/mol:	104.47
Dipole, Da:	1.59
IP(EA), eV:	-9.36(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-4-amino-2-(2-amino-2-oxoethyl)sulfanyl-6-oxo-5H-pyrimidin-5-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)[C@@H]2C(=C(O[C@H]3C2=C(N=N3)C4=CC=CC=C4)N)C#N

DOS

IR

Vibrations