Geometry & MOs

Info

ID:

180220

PubChem CID:

76600706

Reduced:

ClORhN2C22H26 (1)

Stoich.:

ABCD2E22F26 (1)

Weight, g/mol:

896.166377

ΔHf, kcal/mol:

-16.25

Dipole, Da:

34.05

IP(EA), eV:

 -9.0(-3.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 15-cyano-3,5-dihydroxy-21-methoxy-6,20-dimethyl-13-[[3-methylsulfanyl-2-(2,2,2-trichloroethoxycarbonylamino)propanoyl]oxymethyl]-22-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaene-24-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2[CH-]N(C=C2)C3=C(C=C(C=C3C)C)C)C.[CH-]=O.Cl[Rh+2]

DOS

IR

Vibrations