Geometry & MOs

Info

ID:	137480
PubChem CID:	52213539
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-196.39
Dipole, Da:	9.61
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

DOS

IR

Vibrations