Geometry & MOs

Info

ID:	365562
PubChem CID:	127318043
Reduced:	SO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	377.213698
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	5.46
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(thian-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations