Geometry & MOs

Info

ID:	237282
PubChem CID:	92718084
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	437.125467
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	8.69
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations