Geometry & MOs

Info

ID:	60933
PubChem CID:	26703335
Reduced:	SN3O4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-39.89
Dipole, Da:	8.45
IP(EA), eV:	-8.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)/C=C/C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations