Geometry & MOs

Info

ID:	234092
PubChem CID:	92297703
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	285.9953
ΔH_f, kcal/mol:	1.21
Dipole, Da:	2.65
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-bromopropyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@H](CN1CCCCC1)NC(=O)C2=C(N=CS2)C3=CC=CC=C3

DOS

IR

Vibrations