Geometry & MOs

Info

ID:	122953
PubChem CID:	50828529
Reduced:	ClO3N5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	483.167332
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	5.61
IP(EA), eV:	-8.74(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-1-methyl-1-[2-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N(C)CCC2=NOC(=N2)C3=CC=C(C=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations