Geometry & MOs

Info

ID:	180151
PubChem CID:	76585879
Reduced:	RuN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	531.34207
ΔH_f, kcal/mol:	271.31
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.900144
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[4-amino-2-(1-phenylethylcarbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1CC([N-]C(C1)C2=CC=C[C-]=N2)C3=CC=C[C-]=N3.[Ru+3]

DOS

IR

Vibrations