Geometry & MOs

Info

ID:

184512

PubChem CID:

77171926

Reduced:

S2N4O6C27H36 (1)

Stoich.:

A2B4C6D27E36 (1)

Weight, g/mol:

531.287926

ΔHf, kcal/mol:

-216.88

Dipole, Da:

9.71

IP(EA), eV:

 -9.62(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[2-[[2-(3,5-dimethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-3,5-dimethylphenyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCS(=O)(=O)CC2)C=CS(=O)(=O)N3CCC4(CC3)C(=O)NC(=N4)C5CCCCC5

DOS

IR

Vibrations