Geometry & MOs

Info

ID:	301805
PubChem CID:	123096425
Reduced:	ClSN4O4C27H27 (1)
Stoich.:	ABC4D4E27F27 (1)
Weight, g/mol:	518.198777
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	10.01
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-benzyl-4-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)CSC2=NN=C(N2/N=C\C3=CC(=C(C=C3)OC(C)C)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations