Geometry & MOs

Info

ID:	12187
PubChem CID:	132041
Reduced:	BrN3O6C16H28 (1)
Stoich.:	AB3C6D16E28 (1)
Weight, g/mol:	437.11615
ΔH_f, kcal/mol:	-315.97
Dipole, Da:	1.64
IP(EA), eV:	-10.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-[3-[(2-bromoacetyl)amino]propanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)CBr)C(=O)O

DOS

IR

Vibrations