Geometry & MOs

Info

ID:	67716
PubChem CID:	46507026
Reduced:	O2S2N3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	518.121311
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	3.81
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-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=CC=C3)C4=CC=CS4

DOS

IR

Vibrations