Geometry & MOs

Info

ID:	70179
PubChem CID:	47208535
Reduced:	BrNOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	271.035983
ΔH_f, kcal/mol:	1.51
Dipole, Da:	3.86
IP(EA), eV:	-9.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-chloro-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)NCC2=CSC(=C2)Br

DOS

IR

Vibrations