Geometry & MOs

Info

ID:

422907

PubChem CID:

135118596

Reduced:

F2N3O3C14H15 (1)

Stoich.:

A2B3C3D14E15 (1)

Weight, g/mol:

639.218526

ΔHf, kcal/mol:

-167.71

Dipole, Da:

7.08

IP(EA), eV:

 -9.48(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-22-methoxy-13-(2-methyl-1,3-thiazole-4-carbonyl)-5-(2-thiophen-2-ylacetyl)-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

C1=CC2=C(C=C1CN(CCO)CC3=NC=CN3)OC(O2)(F)F

DOS

IR

Vibrations