Geometry & MOs

Info

ID:	34195
PubChem CID:	7890248
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	325.026562
ΔH_f, kcal/mol:	-98.27
Dipole, Da:	5.02
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)COC(=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations