Geometry & MOs

Info

ID:	301818
PubChem CID:	123096772
Reduced:	ClSN4O5C23H27 (1)
Stoich.:	ABC4D5E23F27 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	7.51
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(4-acetyloxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C)Cl)OCC

DOS

IR

Vibrations