Geometry & MOs

Info

ID:	350545
PubChem CID:	127278513
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-112.53
Dipole, Da:	7.07
IP(EA), eV:	-9.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclobutylpyrrolidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations