Geometry & MOs

Info

ID:

312105

PubChem CID:

126603253

Reduced:

FSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

608.227099

ΔHf, kcal/mol:

-135.49

Dipole, Da:

5.56

IP(EA), eV:

 -8.3(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,4S,11S)-4-amino-19-(dimethylamino)-11,14-dihydroxy-8,16-bis(phenylmethoxy)-6-oxa-7,18-diazapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione

Drug info:

PubChemData

Smile

CCCCS(=O)NC1CCNC2=C(C(=C(C(=C12)F)C)C(=O)OC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations