Geometry & MOs

Info

ID:

234249

PubChem CID:

92298018

Reduced:

FSO2N7H24C31 (1)

Stoich.:

ABC2D7E24F31 (1)

Weight, g/mol:

586.216238

ΔHf, kcal/mol:

93.76

Dipole, Da:

1.8

IP(EA), eV:

 -9.28(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-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

C1=CC=C(C=C1)CNC(=O)[C@@H](C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5N=C(N=N5)C6=CC=C(C=C6)F

DOS

IR

Vibrations