Geometry & MOs

Info

ID:	133046
PubChem CID:	51468029
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	496.176699
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	3.17
IP(EA), eV:	-8.67(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC[C@@H](C2)O

DOS

IR

Vibrations