Geometry & MOs

Info

ID:	78782
PubChem CID:	49720292
Reduced:	F2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	372.10046
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	4.79
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NC2=CC(=CC=C2)OC(F)F)C

DOS

IR

Vibrations