Geometry & MOs

Info

ID:	301825
PubChem CID:	123096935
Reduced:	SN4O5C26H34 (1)
Stoich.:	AB4C5D26E34 (1)
Weight, g/mol:	492.123419
ΔH_f, kcal/mol:	-102.28
Dipole, Da:	4.71
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)CC)OCC

DOS

IR

Vibrations