Geometry & MOs

Info

ID:	406002
PubChem CID:	135076205
Reduced:	ClFN2O2S2H8C13 (1)
Stoich.:	ABC2D2E2F8G13 (1)
Weight, g/mol:	545.093042
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	5.15
IP(EA), eV:	-9.49(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[benzyl-[(4-methylphenyl)methyl]amino]phenyl]-1-methoxyprop-2-ynylidene]chromium;carbon monoxide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)C(C3=C(N=CC=C3)Cl)F

DOS

IR

Vibrations