Geometry & MOs

Info

ID:	67714
PubChem CID:	46507024
Reduced:	ClO2S2N3C23H26 (1)
Stoich.:	AB2C2D3E23F26 (1)
Weight, g/mol:	471.165034
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	2.36
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC3=CC=C(C=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations