Geometry & MOs

Info

ID:	390130
PubChem CID:	134997251
Reduced:	BrN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	4.64
IP(EA), eV:	-9.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,6aS)-N-(2,2-dimethylpropanoyl)-2,3-diphenyl-4,5,6,6a-tetrahydro-3H-cyclopenta[d][1,2]oxazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC(=O)[C@@]12CCC[C@@H]1ON([C@H]2C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations