Geometry & MOs

Info

ID:	240701
PubChem CID:	93617149
Reduced:	ClSN2O4C14H21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	305.177313
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	4.64
IP(EA), eV:	-8.61(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-morpholin-4-ylpropan-2-yl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@H](CN1CCOCC1)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations