Geometry & MOs

Info

ID:	68256
PubChem CID:	46508060
Reduced:	SO4N5H21C25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	426.139113
ΔH_f, kcal/mol:	8.3
Dipole, Da:	6.31
IP(EA), eV:	-9.06(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)C(C)NC(=O)C

DOS

IR

Vibrations