Geometry & MOs

Info

ID:	301832
PubChem CID:	123097023
Reduced:	SN4O5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	528.240641
ΔH_f, kcal/mol:	-78.53
Dipole, Da:	8.93
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[5-ethyl-4-[(Z)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=C(C(=CC=C2)OCC)OC)SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations