Geometry & MOs

Info

ID:

169196

PubChem CID:

75073710

Reduced:

ClSO3N6C28H35 (1)

Stoich.:

ABC3D6E28F35 (1)

Weight, g/mol:

598.249288

ΔHf, kcal/mol:

-93.89

Dipole, Da:

4.05

IP(EA), eV:

 -9.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(dipropylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCC(C(C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl

DOS

IR

Vibrations