Geometry & MOs

Info

ID:	184520
PubChem CID:	77171972
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	559.319226
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	2.28
IP(EA), eV:	-9.14(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1C(CC2CCOCC2)NC(=O)C(CC3=CC=CC=C3)N

DOS

IR

Vibrations