Geometry & MOs

Info

ID:	350546
PubChem CID:	127278514
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	7.81
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclobutylpyrrolidin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations