Geometry & MOs

Info

ID:	333573
PubChem CID:	127252125
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	416.12423
ΔH_f, kcal/mol:	4.37
Dipole, Da:	3.81
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[2-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(C1)C2=NC(=NC=C2)NC3=NC=CN=C3

DOS

IR

Vibrations