Geometry & MOs

Info

ID:	61689
PubChem CID:	26711811
Reduced:	NSO2C18H25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	442.159614
ΔH_f, kcal/mol:	-89.11
Dipole, Da:	2.67
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cycloheptyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)CCC(=O)NC2CCCCCC2

DOS

IR

Vibrations