Geometry & MOs

Info

ID:	196723
PubChem CID:	78869441
Reduced:	ClFOSN2H14C20 (1)
Stoich.:	ABCDE2F14G20 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	15.45
Dipole, Da:	2.34
IP(EA), eV:	-9.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations