Geometry & MOs

Info

ID:	67427
PubChem CID:	46506458
Reduced:	SN2O2C15H17 (2)
Stoich.:	AB2C2D15E17 (2)
Weight, g/mol:	504.146741
ΔH_f, kcal/mol:	-119.61
Dipole, Da:	6.35
IP(EA), eV:	-8.49(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2-anilino-2-oxoethyl)-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCCC(=O)NC4CCCCC4)SC5=CC=CC=C53

DOS

IR

Vibrations