Geometry & MOs

Info

ID:	235907
PubChem CID:	92711031
Reduced:	ClO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	422.094582
ΔH_f, kcal/mol:	29.33
Dipole, Da:	2.43
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations