Geometry & MOs

Info

ID:	391881
PubChem CID:	135010551
Reduced:	IN4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	408.244664
ΔH_f, kcal/mol:	125.16
Dipole, Da:	5.4
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-benzyl-4-(tert-butylsulfinylamino)azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](CN=[N+]=[N-])N(CC1=CC=CC=C1)CC2=CC=C(C=C2)I

DOS

IR

Vibrations