Geometry & MOs

Info

ID:	163616
PubChem CID:	58097991
Reduced:	SO2N4C33H34 (1)
Stoich.:	AB2C4D33E34 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	25.82
Dipole, Da:	5.39
IP(EA), eV:	-8.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,2S)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclopropyl]methyl]-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)CNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O)CN5CCN(CC5)C6=NSC7=CC=CC=C76

DOS

IR

Vibrations