Geometry & MOs

Info

ID:

423666

PubChem CID:

135119961

Reduced:

ClNO3C16H22 (1)

Stoich.:

ABC3D16E22 (1)

Weight, g/mol:

704.369761

ΔHf, kcal/mol:

-138.39

Dipole, Da:

4.37

IP(EA), eV:

 -9.08(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-[2-(4-fluorophenyl)acetyl]-23-methoxy-5-(3-methyl-1-propylpyrazole-4-carbonyl)-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations