Geometry & MOs

Info

ID:	168124
PubChem CID:	74926349
Reduced:	SO3N8C21H26 (1)
Stoich.:	AB3C8D21E26 (1)
Weight, g/mol:	471.168873
ΔH_f, kcal/mol:	28.79
Dipole, Da:	7.42
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl 2-[[5-[2-[[3-methoxy-4-(pyrazol-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC2=NC(=NN2)SCC(=O)NC3CCCC3)OCN4C=CC=N4

DOS

IR

Vibrations