Geometry & MOs

Info

ID:	169749
PubChem CID:	75143326
Reduced:	F3N4O5C23H25 (1)
Stoich.:	A3B4C5D23E25 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-299.63
Dipole, Da:	5.38
IP(EA), eV:	-8.36(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-5-[(cyclopropylamino)methyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]tridec-1(9)-en-3-one

Drug info:

PubChemData

Smile

CCCNC(=O)C1C(=O)N(C(=O)N(N1)C2=CC(=C(C=C2)OC)OC)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations