Geometry & MOs

Info

ID:

165979

PubChem CID:

74621438

Reduced:

NPO3C15H17 (1)

Stoich.:

ABC3D15E17 (1)

Weight, g/mol:

340.050548

ΔHf, kcal/mol:

-134.67

Dipole, Da:

8.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.132577

Charge, e:

 -1

Chem-info

IUPAC name:

[(3-chloroanilino)-(2-ethoxyphenyl)methyl]-hydroxyphosphinate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(C2=CC=CC(=C2)C)P(=O)(O)[O-]

DOS

IR

Vibrations