Geometry & MOs

Info

ID:	354359
PubChem CID:	127286485
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	3.03
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NCCC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations