Geometry & MOs

Info

ID:	309352
PubChem CID:	126545599
Reduced:	SN2O6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	473.015771
ΔH_f, kcal/mol:	-150.75
Dipole, Da:	8.02
IP(EA), eV:	-9.03(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3-chloropyridin-2-yl)-N-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CC(=C2C=CC(=O)C=C2)NO1)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations