Geometry & MOs

Info

ID:	355785
PubChem CID:	127290637
Reduced:	NSO2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-149.77
Dipole, Da:	7.61
IP(EA), eV:	-8.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C(=O)N4CCSCC4

DOS

IR

Vibrations