Geometry & MOs

Info

ID:	67463
PubChem CID:	46506524
Reduced:	SO4N6C23H32 (1)
Stoich.:	AB4C6D23E32 (1)
Weight, g/mol:	382.073576
ΔH_f, kcal/mol:	-125.63
Dipole, Da:	6.21
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethoxyanilino)-12,14-dioxa-4-thia-2,6,7-triazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,9,11(15)-pentaen-8-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CCCC2=NN=C3N2C4=C(C(=O)N3CCC(C)C)SC=C4

DOS

IR

Vibrations