Geometry & MOs

Info

ID:	143374
PubChem CID:	53199148
Reduced:	F2O2N5H15C23 (1)
Stoich.:	A2B2C5D15E23 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	3.66
IP(EA), eV:	-9.24(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[8-(2-methylpropyl)-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=NC(=CC(=O)N23)C4=CC=NC=C4)CC(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations