Geometry & MOs

Info

ID:	34174
PubChem CID:	7890167
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	337.087412
ΔH_f, kcal/mol:	-199.11
Dipole, Da:	6.87
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations