Geometry & MOs

Info

ID:

169197

PubChem CID:

75073711

Reduced:

ClSO3N6C30H39 (1)

Stoich.:

ABC3D6E30F39 (1)

Weight, g/mol:

568.202338

ΔHf, kcal/mol:

-99.8

Dipole, Da:

6.55

IP(EA), eV:

 -8.94(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC)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