Geometry & MOs

Info

ID:	165857
PubChem CID:	74605392
Reduced:	FNO7C25H30 (1)
Stoich.:	ABC7D25E30 (1)
Weight, g/mol:	419.093977
ΔH_f, kcal/mol:	-266.33
Dipole, Da:	4.53
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)OC2CCC3C(C2)OC=C(C3=O)OC4=CC=C(C=C4)F

DOS

IR

Vibrations