Geometry & MOs

Info

ID:

59043

PubChem CID:

24770558

Reduced:

ClSF2N4O5C30H37 (1)

Stoich.:

ABC2D4E5F30G37 (1)

Weight, g/mol:

507.204573

ΔHf, kcal/mol:

-261.13

Dipole, Da:

5.44

IP(EA), eV:

 -9.42(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]methyl 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)C(=O)OC2(CC2)[C@H]3CCC[C@H](N3S(=O)(=O)C4=C(C=C(C=C4)F)Cl)C5=CC(=CC=C5)F

DOS

IR

Vibrations