Geometry & MOs

Info

ID:	301819
PubChem CID:	123096811
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	9.73
IP(EA), eV:	-9.01(-1.3)
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-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(=O)C)SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations