Geometry & MOs

Info

ID:	165094
PubChem CID:	74499433
Reduced:	FSN3O3H24C25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	3.62
IP(EA), eV:	-8.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)C=CC(=O)N(CC3=CC=C(C=C3)OC)C4CC4

DOS

IR

Vibrations