Geometry & MOs

Info

ID:	301834
PubChem CID:	123097118
Reduced:	SN4O5C27H36 (1)
Stoich.:	AB4C5D27E36 (1)
Weight, g/mol:	492.183127
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	8.35
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-propyl-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)CCC)OCC

DOS

IR

Vibrations