Geometry & MOs

Info

ID:	34149
PubChem CID:	7890056
Reduced:	ClNO2F3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	379.01677
ΔH_f, kcal/mol:	-215.13
Dipole, Da:	3.31
IP(EA), eV:	-9.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)COC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations