Geometry & MOs

Info

ID:	85001
PubChem CID:	49871276
Reduced:	BrNO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	6.28
IP(EA), eV:	-10.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-tert-butylsulfanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C(CCCCBr)CCC/C=C/C[N+](=O)[O-]

DOS

IR

Vibrations