Geometry & MOs

Info

ID:	67735
PubChem CID:	46507062
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	528.204256
ΔH_f, kcal/mol:	-160.68
Dipole, Da:	4.18
IP(EA), eV:	-8.42(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-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)N2CC(=O)NC3=CC=C(C=C3)OC)C4=CC=CS4

DOS

IR

Vibrations