Geometry & MOs

Info

ID:	172183
PubChem CID:	75476386
Reduced:	ClFNSO2C16H23 (1)
Stoich.:	ABCDE2F16G23 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-144.08
Dipole, Da:	7.21
IP(EA), eV:	-9.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohex-2-en-1-yl-3-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC(C)C(C1=C(C=C(C=C1)Cl)F)NCC2CCS(=O)(=O)CC2

DOS

IR

Vibrations