Geometry & MOs

Info

ID:	141397
PubChem CID:	52873822
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	339.09768
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	4.85
IP(EA), eV:	-8.0(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

Drug info:

PubChemData

Smile

CN1C=CC2=C(C=CC=C21)NC(=O)C[C@@H]3CCC=C3

DOS

IR

Vibrations