Geometry & MOs

Info

ID:	388926
PubChem CID:	134990626
Reduced:	BrNSO4H12C15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	7.24
IP(EA), eV:	-9.08(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-benzylsulfanylpropanoylamino)-3-(4-ethoxyphenyl)propanoyl azide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)OC)Br)[N+](=O)[O-]

DOS

IR

Vibrations