Geometry & MOs

Info

ID:	362107
PubChem CID:	127305789
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	392.199445
ΔH_f, kcal/mol:	-147.33
Dipole, Da:	0.9
IP(EA), eV:	-9.42(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C(=O)N3CCCC(C3)C(=O)N4CCCC4)C(=O)N(C1=O)C

DOS

IR

Vibrations