Geometry & MOs

Info

ID:	148654
PubChem CID:	53788322
Reduced:	O2F3N3C21H22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	-199.98
Dipole, Da:	3.73
IP(EA), eV:	-9.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-3-methylsulfonylphenyl)-(3-cyclopropyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3

DOS

IR

Vibrations