Geometry & MOs

Info

ID:	301810
PubChem CID:	123096726
Reduced:	ClSN4O4C28H37 (1)
Stoich.:	ABC4D4E28F37 (1)
Weight, g/mol:	518.198777
ΔH_f, kcal/mol:	-88.74
Dipole, Da:	10.13
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=CC(=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C)Cl

DOS

IR

Vibrations