Geometry & MOs

Info

ID:

181927

PubChem CID:

76814521

Reduced:

ClSO2F4N4H25C27 (1)

Stoich.:

ABC2D4E4F25G27 (1)

Weight, g/mol:

455.179124

ΔHf, kcal/mol:

-214.72

Dipole, Da:

3.47

IP(EA), eV:

 -8.81(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(21-fluoro-11-hydroxy-9-thia-2,17,19,22-tetrazapentacyclo[16.3.1.13,6.112,16.04,8]tetracosa-1(22),12(23),13,15,18,20-hexaen-24-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCC(C(C1)F)N2C(=O)C(=CC3=CC4=C(C=C3)N(N=C4C)CC5=C(C=C(C=C5)Cl)C(F)(F)F)SC2=O

DOS

IR

Vibrations