Geometry & MOs

Info

ID:	396338
PubChem CID:	135028094
Reduced:	N2O3S3C22H26 (1)
Stoich.:	A2B3C3D22E26 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	3.78
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1CN2CCC(CC2)O[C@@H](C3=CSC=C3)C4=CC=CS4

DOS

IR

Vibrations