Geometry & MOs

Info

ID:	178169
PubChem CID:	76289389
Reduced:	OSN4C23H34 (1)
Stoich.:	ABC4D23E34 (1)
Weight, g/mol:	457.26238
ΔH_f, kcal/mol:	-8.72
Dipole, Da:	3.78
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[5-(5-phenylpyrazolidin-3-yl)pentyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N(C)CCCCCC2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations