Geometry & MOs

Info

ID:	52666
PubChem CID:	12015651
Reduced:	SN2O5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	506.110012
ΔH_f, kcal/mol:	-151.05
Dipole, Da:	6.21
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-5-oxo-5-(2-oxopyrrolidin-1-yl)-2-[1-[2-(pyridine-2-carbonylazanidyl)phenyl]ethylideneamino]pentanoate;nickel(2+)

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C/C(=O)N4CCOC4=O)C

DOS

IR

Vibrations