Geometry & MOs

Info

ID:	308422
PubChem CID:	125327669
Reduced:	SO3N5H19C26 (1)
Stoich.:	AB3C5D19E26 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	53.4
Dipole, Da:	4.91
IP(EA), eV:	-8.78(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(5R)-2,4-diamino-6-oxo-5H-pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

DOS

IR

Vibrations