Geometry & MOs

Info

ID:	191865
PubChem CID:	78194948
Reduced:	FN2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	607.246455
ΔH_f, kcal/mol:	-206.48
Dipole, Da:	5.78
IP(EA), eV:	-9.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]-2-[(2-oxo-3H-pyridine-3-carbonyl)amino]butanediamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)C3NC(C(C(=O)N3)O)C(=O)O)F

DOS

IR

Vibrations