Geometry & MOs

Info

ID:	236788
PubChem CID:	92714681
Reduced:	BrClFNO5H14C18 (1)
Stoich.:	ABCDE5F14G18 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-204.04
Dipole, Da:	8.76
IP(EA), eV:	-9.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylpropyl)-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)COC2=C(C=C(C=C2)Cl)Br)F

DOS

IR

Vibrations