Geometry & MOs

Info

ID:	184734
PubChem CID:	77200380
Reduced:	FSN4O4C25H33 (1)
Stoich.:	ABC4D4E25F33 (1)
Weight, g/mol:	473.189689
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	0.84
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2lambda6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-3-methyl-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CC2(CCN1CC3=CC(=C(C=C3)O)OC(C)C)CN(S(N2C4=C(C=CC(=C4)F)C#N)(O)O)C

DOS

IR

Vibrations