Geometry & MOs

Info

ID:

181287

PubChem CID:

76727954

Reduced:

NPO5C8H18 (1)

Stoich.:

ABC5D8E18 (1)

Weight, g/mol:

639.271128

ΔHf, kcal/mol:

-253.52

Dipole, Da:

5.15

IP(EA), eV:

 -10.03(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[12-chloro-20-hydroxy-6-(5-hydroxypyridin-3-yl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OP(=O)(C)CCNO

DOS

IR

Vibrations