Geometry & MOs

Info

ID:	133599
PubChem CID:	51560428
Reduced:	FO2S2N6H17C19 (1)
Stoich.:	AB2C2D6E17F19 (1)
Weight, g/mol:	199.119501
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	9.18
IP(EA), eV:	-8.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl-(2-hydroxyethyl)azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NN=C(S3)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations