Geometry & MOs

Info

ID:	299961
PubChem CID:	118043421
Reduced:	ClO2N3C9H16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	575.99736
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	2.99
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-iodo-1-(1-oxidopyridin-1-ium-3-yl)pyrazol-4-yl]-3-(4,4,4-trifluorobutylsulfonyl)propanethioamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1Cl)CCN(C)C)C

DOS

IR

Vibrations