Geometry & MOs

Info

ID:

234252

PubChem CID:

92298029

Reduced:

SO5N6H26C31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

586.216238

ΔHf, kcal/mol:

-47.42

Dipole, Da:

3.25

IP(EA), eV:

 -8.74(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-3-N-cyclohexyl-5-N-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN([C@@H](C3=CC4=C(C=C3)N=CC=C4)C(=O)NCC5=CC=CC=C5)C(=O)C6=C(C(=NS6)C(=O)N)N

DOS

IR

Vibrations