Geometry & MOs

Info

ID:	127775
PubChem CID:	51014682
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	405.154469
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	4.64
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@]3(C1=O)C[C@@H]4C(=O)CC[C@H]3N4CC5=CC=CC=C5

DOS

IR

Vibrations