Geometry & MOs

Info

ID:

181734

PubChem CID:

76785180

Reduced:

OC2H4 (109)

Stoich.:

AB2C4 (109)

Weight, g/mol:

555.297442

ΔHf, kcal/mol:

-4512.62

Dipole, Da:

2.71

IP(EA), eV:

 -9.86(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(hydroxymethyl)pentan-1-one

Drug info:

PubChemData

Smile

CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)O

DOS

IR

Vibrations