Geometry & MOs

Info

ID:

188104

PubChem CID:

77668181

Reduced:

ClSN5O6C25H26 (1)

Stoich.:

ABC5D6E25F26 (1)

Weight, g/mol:

561.144882

ΔHf, kcal/mol:

-193.96

Dipole, Da:

8.61

IP(EA), eV:

 -9.18(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=C2N1C(=O)N(C2)C3CCN(CC3)C(=O)C(CS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)NC(=O)O

DOS

IR

Vibrations