Geometry & MOs

Info

ID:	235940
PubChem CID:	92711093
Reduced:	ClO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	432.135304
ΔH_f, kcal/mol:	26.61
Dipole, Da:	2.07
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations