Geometry & MOs

Info

ID:	190465
PubChem CID:	78008882
Reduced:	S2N3O8C25H29 (1)
Stoich.:	A2B3C8D25E29 (1)
Weight, g/mol:	465.270151
ΔH_f, kcal/mol:	-279.81
Dipole, Da:	6.75
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-methyl-3-[2-(5-methylthiophen-2-yl)ethyl]-3-azabicyclo[4.2.0]octan-7-yl] 1-phenylcycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CSC(=N1)C(CC2=CC=C(C=C2)NS(=O)(=O)O)NC(=O)C(CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations