Geometry & MOs

Info

ID:

168430

PubChem CID:

74966562

Reduced:

N16O16C79H96 (1)

Stoich.:

A16B16C79D96 (1)

Weight, g/mol:

459.187958

ΔHf, kcal/mol:

-569.24

Dipole, Da:

12.78

IP(EA), eV:

 -8.31(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[1-[4-[3-fluoro-5-(oxan-4-yl)phenyl]sulfanylphenyl]ethylideneamino]oxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)N(C(CCCCN)C(=O)N)C(=O)C5CCCN5C(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CC=C(C=C7)O)N(C)C(=O)CCC8=CC=C(C=C8)O)C(=O)O3)C9=C(O2)C=C(C=C9)N(C)C

DOS

IR

Vibrations