Geometry & MOs

Info

ID:	125108
PubChem CID:	50910176
Reduced:	SnO2P2Cl4N6C48H62 (1)
Stoich.:	AB2C2D4E6F48G62 (1)
Weight, g/mol:	280.029259
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	3.28
IP(EA), eV:	-7.64(-3.25)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea;nickel(2+)

Drug info:

Smile

CN(C)C1=CC=C(C=C1)P(=[OH+])(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C.CN(C)C1=CC=C(C=C1)P(=[OH+])(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C.Cl[Sn](Cl)(Cl)Cl

DOS

IR

Vibrations