Geometry & MOs

Info

ID:	301831
PubChem CID:	123097016
Reduced:	SN4O5C24H30 (1)
Stoich.:	AB4C5D24E30 (1)
Weight, g/mol:	472.178041
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	6.33
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations