Geometry & MOs

Info

ID:	281491
PubChem CID:	103913949
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	348.208279
ΔH_f, kcal/mol:	-222.26
Dipole, Da:	3.12
IP(EA), eV:	-8.99(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1-ethylsulfonylpropan-2-ylamino)azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC(C1)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations