Geometry & MOs

Info

ID:	235913
PubChem CID:	92711043
Reduced:	ClO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	418.119654
ΔH_f, kcal/mol:	31.64
Dipole, Da:	2.01
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)N[C@@H](C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations