Geometry & MOs

Info

ID:	398682
PubChem CID:	135034800
Reduced:	ON6C11H22 (1)
Stoich.:	AB6C11D22 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	53.53
Dipole, Da:	3.32
IP(EA), eV:	-10.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(4-methylsulfanylphenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

C(CCCCC(CN=[N+]=[N-])N=[N+]=[N-])CCCCO

DOS

IR

Vibrations