Geometry & MOs

Info

ID:	237283
PubChem CID:	92718085
Reduced:	ClO3N5H20C22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	437.125467
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	2.82
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations