Geometry & MOs

Info

ID:

415988

PubChem CID:

135088993

Reduced:

O2N3C22H29 (1)

Stoich.:

A2B3C22D29 (1)

Weight, g/mol:

635.28676

ΔHf, kcal/mol:

-57.41

Dipole, Da:

5.8

IP(EA), eV:

 -8.51(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-(2,5-dimethylpyrazole-3-carbonyl)-5-(5-fluoropyridine-3-carbonyl)-22-methoxy-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CN(CC(=O)N1C[C@H]([C@@H](C1)O)CC2=NC3=CC=CC=C3C=C2)C4CCCC4

DOS

IR

Vibrations