Geometry & MOs

Info

ID:	158802
PubChem CID:	56479310
Reduced:	F2O2N5C26H31 (1)
Stoich.:	A2B2C5D26E31 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-136.67
Dipole, Da:	7.94
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C(C(C)C)N3C=NC4=CC(=C(C=C43)F)F

DOS

IR

Vibrations