Geometry & MOs

Info

ID:	195165
PubChem CID:	78647748
Reduced:	F2N3O5C19H25 (1)
Stoich.:	A2B3C5D19E25 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	-321.73
Dipole, Da:	3.27
IP(EA), eV:	-9.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations