Geometry & MOs

Info

ID:	237054
PubChem CID:	92717081
Reduced:	O3N6H16C18 (1)
Stoich.:	A3B6C16D18 (1)
Weight, g/mol:	428.123303
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	2.55
IP(EA), eV:	-9.19(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)NC(=O)[C@@H](C)N3C(=O)C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations