Geometry & MOs

Info

ID:	165980
PubChem CID:	74621439
Reduced:	ClNPO4C15H16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	338.071283
ΔH_f, kcal/mol:	-177.95
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096362
Charge, e:	-1

Chem-info

IUPAC name:

[(4-chloroanilino)-(2,4,5-trimethylphenyl)methyl]-hydroxyphosphinate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(NC2=CC(=CC=C2)Cl)P(=O)(O)[O-]

DOS

IR

Vibrations