Geometry & MOs

Info

ID:	190294
PubChem CID:	77981384
Reduced:	OSCl2F3N4H13C20 (1)
Stoich.:	ABC2D3E4F13G20 (1)
Weight, g/mol:	499.203111
ΔH_f, kcal/mol:	-71.7
Dipole, Da:	4.75
IP(EA), eV:	-9.03(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(N3C(=N2)SC(=N3)C(F)(F)Cl)C=CC(=O)NC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations