Geometry & MOs

Info

ID:	179634
PubChem CID:	76514431
Reduced:	SO4N6C18H18 (1)
Stoich.:	AB4C6D18E18 (1)
Weight, g/mol:	521.09563
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	3.71
IP(EA), eV:	-9.43(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanopyrimidin-4-yl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-N-(1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=NC(=NC(=O)C2C(=O)N)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations