Geometry & MOs

Info

ID:	159382
PubChem CID:	57269769
Reduced:	ClN2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	66.93
Dipole, Da:	5.23
IP(EA), eV:	-9.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[methylsulfonyl(phenyl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations