Geometry & MOs

Info

ID:	276407
PubChem CID:	103823061
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	346.229014
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	4.35
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2-methylsulfinylethylamino)propyl]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations