Geometry & MOs

Info

ID:	178587
PubChem CID:	76353298
Reduced:	NF2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	464.176979
ΔH_f, kcal/mol:	-182.35
Dipole, Da:	7.15
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C=CC2=C(C=CC=C2F)F

DOS

IR

Vibrations