Geometry & MOs

Info

ID:	167775
PubChem CID:	74873420
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-96.97
Dipole, Da:	4.47
IP(EA), eV:	-9.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(1,3-benzoxazol-2-yl)prop-2-enoyl-methylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CS2

DOS

IR

Vibrations