Geometry & MOs

Info

ID:

312031

PubChem CID:

126601981

Reduced:

FN3O5C46H56 (1)

Stoich.:

AB3C5D46E56 (1)

Weight, g/mol:

430.192629

ΔHf, kcal/mol:

-222.92

Dipole, Da:

6.85

IP(EA), eV:

 -8.42(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-N-[2-[ethyl(hydroxy)amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CN(C)CC5CCOCC5)C)[C@@H](C(=O)O)OC(C)(C)C)C6=CC7=C(C=C6)OCCC7

DOS

IR

Vibrations