Geometry & MOs

Info

ID:	235918
PubChem CID:	92711050
Reduced:	N2O2H12C13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	2.9
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations