Geometry & MOs

Info

ID:

234170

PubChem CID:

92297858

Reduced:

SO3N6C30H36 (1)

Stoich.:

AB3C6D30E36 (1)

Weight, g/mol:

580.202338

ΔHf, kcal/mol:

-70.98

Dipole, Da:

3.19

IP(EA), eV:

 -8.45(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)N([C@H](C3=CC=NC=C3)C(=O)NC4CCCCC4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations