Geometry & MOs

Info

ID:	67712
PubChem CID:	46507019
Reduced:	S2N4O4C25H30 (1)
Stoich.:	A2B4C4D25E30 (1)
Weight, g/mol:	455.17012
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	4.54
IP(EA), eV:	-8.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(3-methylphenyl)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)SCC(=O)NC3=CC=C(C=C3)OC)C4=CC=CS4

DOS

IR

Vibrations