Geometry & MOs

Info

ID:	61933
PubChem CID:	26715956
Reduced:	ClSN2O5H23C25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	1.86
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N'-[2-(4-methoxyphenyl)acetyl]prop-2-enehydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations