Geometry & MOs

Info

ID:	138044
PubChem CID:	52303305
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	398.136548
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	2.96
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-[[(S)-phenyl(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)methyl]carbamoyl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)N[C@H](C)C3=CC=CO3

DOS

IR

Vibrations