Geometry & MOs

Info

ID:	343147
PubChem CID:	127266320
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	2.76
IP(EA), eV:	-8.84(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CN(C)S(=NC(=O)C1=CC=C(C=C1)NC(=O)NC2CC2)(=O)C

DOS

IR

Vibrations