Geometry & MOs

Info

ID:	77903
PubChem CID:	49667696
Reduced:	F2O2N5H13C19 (1)
Stoich.:	A2B2C5D13E19 (1)
Weight, g/mol:	484.210839
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	1.46
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=NC(=NO2)C3=CN(C=N3)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations