Geometry & MOs

Info

ID:	355754
PubChem CID:	127290606
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-129.72
Dipole, Da:	5.37
IP(EA), eV:	-9.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)OCC4=CC=CC=C4

DOS

IR

Vibrations