Geometry & MOs

Info

ID:	329417
PubChem CID:	126736491
Reduced:	PO5H31C35 (1)
Stoich.:	AB5C31D35 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-139.73
Dipole, Da:	6.98
IP(EA), eV:	-8.71(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)OC2=CC=C(C=C2)COC3=CC(=C(C=C3)O)P4(=O)C5=CC=CC=C5C6=CC=CC=C6O4

DOS

IR

Vibrations