Geometry & MOs

Info

ID:	135844
PubChem CID:	51947991
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	4.77
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(4-bromophenyl)propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CSC=C4

DOS

IR

Vibrations