Geometry & MOs

Info

ID:	67529
PubChem CID:	46506657
Reduced:	FS2N4O4H25C27 (1)
Stoich.:	AB2C4D4E25F27 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-130.11
Dipole, Da:	6.09
IP(EA), eV:	-8.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-methylphenyl)-3-methylsulfanyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC=C4F)SC5=C3CCN(C5)C(=O)C

DOS

IR

Vibrations