Geometry & MOs

Info

ID:	156024
PubChem CID:	56368819
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	4.75
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

DOS

IR

Vibrations