Geometry & MOs

Info

ID:	235896
PubChem CID:	92711002
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	32.34
Dipole, Da:	1.58
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)N[C@H](C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4)C

DOS

IR

Vibrations