Geometry & MOs

Info

ID:	216884
PubChem CID:	85086925
Reduced:	SN2O3H12C16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-34.29
Dipole, Da:	7.28
IP(EA), eV:	-9.03(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 13-ethyl-11-oxo-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene-15-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C=C3C(=O)N=C(N3)SCC(=O)O

DOS

IR

Vibrations