Geometry & MOs

Info

ID:	177796
PubChem CID:	76231560
Reduced:	BrSO2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	39.2
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)C3C4=CC=CC=C4C(=O)N=N3

DOS

IR

Vibrations