Geometry & MOs

Info

ID:	301820
PubChem CID:	123096834
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	10.84
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OC)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C

DOS

IR

Vibrations