Geometry & MOs

Info

ID:	67738
PubChem CID:	46507071
Reduced:	ClFSN3O3C23H25 (1)
Stoich.:	ABCD3E3F23G25 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-132.17
Dipole, Da:	2.71
IP(EA), eV:	-9.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2,4-dimethylphenyl)methyl]-3-oxo-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=O)N2CC3=C(C=C(C=C3)F)Cl)C4=CC=CS4

DOS

IR

Vibrations