Geometry & MOs

Info

ID:	431378
PubChem CID:	135171453
Reduced:	ClINO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	624.225181
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	1.17
IP(EA), eV:	-8.99(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(N=C1Cl)I)C(=O)OC

DOS

IR

Vibrations