Geometry & MOs

Info

ID:	191279
PubChem CID:	78124746
Reduced:	ClFN3O4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	573.269499
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	3.26
IP(EA), eV:	-9.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1,3-benzothiazol-6-ylsulfonyl(2-methylpentyl)amino]-2-hydroxy-5-phenylpentan-3-yl]-2,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)CCOC2=CC(=CC(=C2OC3=CC=CC=C3Cl)C#N)F

DOS

IR

Vibrations