Geometry & MOs

Info

ID:

301807

PubChem CID:

123096562

Reduced:

SN4O5C29H32 (1)

Stoich.:

AB4C5D29E32 (1)

Weight, g/mol:

506.139069

ΔHf, kcal/mol:

-60.04

Dipole, Da:

9.29

IP(EA), eV:

 -9.09(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=N\N2C=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)OCC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations