Geometry & MOs

Info

ID:	238707
PubChem CID:	92765112
Reduced:	SO3N5C25H39 (1)
Stoich.:	AB3C5D25E39 (1)
Weight, g/mol:	489.277361
ΔH_f, kcal/mol:	-104.8
Dipole, Da:	10.61
IP(EA), eV:	-8.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CCCNC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C=C4)C

DOS

IR

Vibrations