Geometry & MOs

Info

ID:

182002

PubChem CID:

76825877

Reduced:

FN6O15C61H75 (1)

Stoich.:

AB6C15D61E75 (1)

Weight, g/mol:

562.239596

ΔHf, kcal/mol:

-494.91

Dipole, Da:

4.82

IP(EA), eV:

 -7.19(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzylsulfonylamino)-N-[1-[(4-carbamohydrazonoylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=O)C2=CNN5CCN(CC5)C(=O)OC6CCN(C6)C7=C(C8=C(C=C(C(=O)N8C=C7F)C)C9CC9)C)O)C

DOS

IR

Vibrations