Geometry & MOs

Info

ID:	49316
PubChem CID:	11532806
Reduced:	SN5O5C21H31 (1)
Stoich.:	AB5C5D21E31 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-179.01
Dipole, Da:	7.12
IP(EA), eV:	-9.16(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3,4-dimethoxyphenyl)-4-ethoxy-13-methyl-6-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCNC(=O)C1=NC2=C(S1)C(=O)C=C(C2=O)NCCN(C)C

DOS

IR

Vibrations