Geometry & MOs

Info

ID:	71573
PubChem CID:	48415061
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	3.42
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations