Geometry & MOs

Info

ID:	33521
PubChem CID:	7886818
Reduced:	O4N5C21H21 (1)
Stoich.:	A4B5C21D21 (1)
Weight, g/mol:	398.087118
ΔH_f, kcal/mol:	-15.01
Dipole, Da:	7.91
IP(EA), eV:	-9.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3=CC=CC=C3N4C=NN=N4

DOS

IR

Vibrations