Geometry & MOs

Info

ID:

420434

PubChem CID:

135113099

Reduced:

FN3O6C27H34 (1)

Stoich.:

AB3C6D27E34 (1)

Weight, g/mol:

671.331899

ΔHf, kcal/mol:

-257.21

Dipole, Da:

3.96

IP(EA), eV:

 -9.14(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-(2-cyclopentylacetyl)-22-methoxy-5-(3-phenyl-1,2-oxazole-5-carbonyl)-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

CC(C)(C(=O)N1CCCC(=O)NCC2=C(C=CC=C2F)OC3=C(C=C(C=C3)C(=O)NCCC1)OC)OC

DOS

IR

Vibrations