Geometry & MOs

Info

ID:	245333
PubChem CID:	99443444
Reduced:	FS2N3O3C23H26 (1)
Stoich.:	AB2C3D3E23F26 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-111.41
Dipole, Da:	6.59
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C(C)C)F

DOS

IR

Vibrations