Geometry & MOs

Info

ID:	52510
PubChem CID:	12015394
Reduced:	S2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-134.91
Dipole, Da:	5.8
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-5-anilino-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)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC3=CC=C(C=C3)C

DOS

IR

Vibrations