Geometry & MOs

Info

ID:	291987
PubChem CID:	114000337
Reduced:	N2O2S2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	2.42
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(4-cyano-2,5-dimethylpyrazol-3-yl)sulfanylmethyl]cyclopropyl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1(CC1)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations