Geometry & MOs

Info

ID:	61854
PubChem CID:	26714216
Reduced:	BrNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	486.00157
ΔH_f, kcal/mol:	-55.38
Dipole, Da:	3.63
IP(EA), eV:	-9.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CCC(=O)N[C@H](C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations