Geometry & MOs

Info

ID:	137479
PubChem CID:	52213538
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	3.64
IP(EA), eV:	-9.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-ethyl-3-methylbutanamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2C[C@@H](O[C@H](C2)C)C

DOS

IR

Vibrations