Geometry & MOs

Info

ID:	242787
PubChem CID:	99206309
Reduced:	BrNSO2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	425.247855
ΔH_f, kcal/mol:	-40.99
Dipole, Da:	4.64
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[[(1S)-1-(4-fluorophenyl)-3,3-dimethylbutyl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations