Geometry & MOs

Info

ID:	157160
PubChem CID:	56422206
Reduced:	IOSN3H14C17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	62.8
Dipole, Da:	1.89
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-phenyl-1,3-oxazol-2-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)I

DOS

IR

Vibrations