Geometry & MOs

Info

ID:	160583
PubChem CID:	57389127
Reduced:	F3N5O5C26H28 (1)
Stoich.:	A3B5C5D26E28 (1)
Weight, g/mol:	429.133397
ΔH_f, kcal/mol:	-305.29
Dipole, Da:	6.45
IP(EA), eV:	-9.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzylamino)ethyl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N5CC[C@H](C5)F)F)F

DOS

IR

Vibrations