Geometry & MOs

Info

ID:	33799
PubChem CID:	7888173
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	419.133734
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	2.59
IP(EA), eV:	-8.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)OC

DOS

IR

Vibrations