Geometry & MOs

Info

ID:	171819
PubChem CID:	75429591
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	7.23
IP(EA), eV:	-9.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-oxothian-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC(C3)(C)C(=O)O

DOS

IR

Vibrations