Geometry & MOs

Info

ID:	122093
PubChem CID:	50794010
Reduced:	FN3O5H18C23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	443.148121
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	6.91
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methyl-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C(=N2)C=C(O3)C)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations