Geometry & MOs

Info

ID:	155653
PubChem CID:	56366653
Reduced:	S2N3O4C19H29 (1)
Stoich.:	A2B3C4D19E29 (1)
Weight, g/mol:	429.07593
ΔH_f, kcal/mol:	-167.76
Dipole, Da:	4.89
IP(EA), eV:	-9.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations