Geometry & MOs

Info

ID:	67500
PubChem CID:	46506589
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	2.2
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3,4-dimethylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2CCCN(S2(=O)=O)CC3=CC=CC(=C3)C

DOS

IR

Vibrations