Geometry & MOs

Info

ID:	31740
PubChem CID:	3288086
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-36.13
Dipole, Da:	4.91
IP(EA), eV:	-8.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)NC1=NC(=C(S1)C)C)C(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations