Geometry & MOs

Info

ID:	325810
PubChem CID:	126685073
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	350.09681
ΔH_f, kcal/mol:	1.32
Dipole, Da:	5.04
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[(E)-prop-1-enyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)N2C=C(C(=N2)C)N(CC#C)C(=O)OC(C)(C)C

DOS

IR

Vibrations