Geometry & MOs

Info

ID:	52513
PubChem CID:	12015397
Reduced:	ClSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	3.69
IP(EA), eV:	-8.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-5-(4-methoxyanilino)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)NC4=CC=CC=C4Cl)N

DOS

IR

Vibrations