Geometry & MOs

Info

ID:	67729
PubChem CID:	46507049
Reduced:	S2N4O5C25H28 (1)
Stoich.:	A2B4C5D25E28 (1)
Weight, g/mol:	512.191583
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	4.9
IP(EA), eV:	-8.61(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(3,4-dimethylanilino)-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)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

DOS

IR

Vibrations