Geometry & MOs

Info

ID:	398046
PubChem CID:	135031473
Reduced:	BrF2N4O4H21C27 (1)
Stoich.:	AB2C4D4E21F27 (1)
Weight, g/mol:	482.094617
ΔH_f, kcal/mol:	-162.67
Dipole, Da:	7.32
IP(EA), eV:	-9.31(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dichloropyrimidin-2-yl)-N-[1-(4-methylphenyl)sulfonyl-4-prop-2-enylpiperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CC(C2=C(C(=C(N=C21)F)F)N(C3=CC(=CC=C3)Br)C(=O)C)CCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations