Geometry & MOs

Info

ID:	61167
PubChem CID:	26706546
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	412.185903
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	2.58
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations