Geometry & MOs

Info

ID:	432994
PubChem CID:	135173131
Reduced:	ClNOH18C24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	338.079724
ΔH_f, kcal/mol:	56.58
Dipole, Da:	2.68
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-[(6-amino-4-hydroxy-1,4-dihydropyrimidin-2-yl)sulfanyl]acetyl]amino]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CN=CC=C2)(C3=CC=CC=C3C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations