Geometry & MOs

Info

ID:	34150
PubChem CID:	7890062
Reduced:	BrN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	369.028311
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	6.05
IP(EA), eV:	-9.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations