Geometry & MOs

Info

ID:	235914
PubChem CID:	92711044
Reduced:	ClO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	448.05349
ΔH_f, kcal/mol:	36.44
Dipole, Da:	8.77
IP(EA), eV:	-9.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-[(S)-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