Geometry & MOs

Info

ID:	217511
PubChem CID:	85087924
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-125.64
Dipole, Da:	4.94
IP(EA), eV:	-9.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-2-(4-nitrobenzoyl)-9-propan-2-yl-2-azatricyclo[5.3.1.04,11]undecan-6-one

Drug info:

PubChemData

Smile

C1C(N(C(=O)NC1=O)COC(CO)C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations