Geometry & MOs

Info

ID:	237101
PubChem CID:	92717316
Reduced:	NO5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	405.120382
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	3.39
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OC)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations