Geometry & MOs

Info

ID:	412194
PubChem CID:	135085069
Reduced:	ScO2N3H19C25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	364.004207
ΔH_f, kcal/mol:	125.4
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.116511
Charge, e:	0

Chem-info

IUPAC name:

carbanide;chlororuthenium(2+);[(1S,2S)-2-hydroxy-1,2-diphenylethyl]azanide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=NC(=CC=C4)C5=N[C@@H]6[C@H](O5)CC7=CC=CC=C67.[Sc]

DOS

IR

Vibrations