Geometry & MOs

Info

ID:	219562
PubChem CID:	85149192
Reduced:	SN3O5C31H43 (1)
Stoich.:	AB3C5D31E43 (1)
Weight, g/mol:	573.186685
ΔH_f, kcal/mol:	-187.4
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(piperidine-1-carbonyl)phenyl]-3-(tetrazolidin-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(=CCCN1CCC(CC1)NC(=O)C(C2CCC(C2)NS(=O)(=O)C3=CC=C(C=C3)OC)(C4=CC=CC=C4)O)C

DOS

IR

Vibrations